[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide

C103H163N9O5 — CID 158954415

IUPAC[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide
SMILESC=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1.[H]/N=C(\N)C1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1
InChIInChI=1S/C27H43N3O.C27H42N2O2.C25H40N2O.C24H38N2O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22;1-22(28)26-14-10-19-29(26)27(30)25-17-15-23(16-18-25)11-6-3-2-4-9-20-31-21-24-12-7-5-8-13-24;1-3-4-5-6-7-8-9-10-11-12-14-22-16-18-23(19-17-22)25(28)27-20-13-15-24(27)21(2)26;1-3-4-5-6-7-8-9-10-11-13-21-15-17-22(18-16-21)24(27)26-19-12-14-23(26)20(2)25/h17-20,22,25H,1-16,21H2,(H3,28,29);15-18,24,26H,1-14,19-21,28H2;16-19,24H,2-15,20,26H2,1H3;15-18,23H,2-14,19,25H2,1H3
InChIKeyJLVCVZWOZBSCLV-UHFFFAOYSA-N
MW1607.49 g/mol
LogP24.39
Rot. Bonds49

About [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide

[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide (PubChem CID 158954415) has the molecular formula C103H163N9O5 and a molecular weight of 1607.49 g/mol. Its IUPAC name is [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide
PubChem CID158954415
Molecular FormulaC103H163N9O5
Molecular Weight1607.49 g/mol
Exact Mass1606.28
IUPAC Name[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide
SMILESC=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1.[H]/N=C(\N)C1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1
InChIInChI=1S/C27H43N3O.C27H42N2O2.C25H40N2O.C24H38N2O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22;1-22(28)26-14-10-19-29(26)27(30)25-17-15-23(16-18-25)11-6-3-2-4-9-20-31-21-24-12-7-5-8-13-24;1-3-4-5-6-7-8-9-10-11-12-14-22-16-18-23(19-17-22)25(28)27-20-13-15-24(27)21(2)26;1-3-4-5-6-7-8-9-10-11-13-21-15-17-22(18-16-21)24(27)26-19-12-14-23(26)20(2)25/h17-20,22,25H,1-16,21H2,(H3,28,29);15-18,24,26H,1-14,19-21,28H2;16-19,24H,2-15,20,26H2,1H3;15-18,23H,2-14,19,25H2,1H3
InChIKeyJLVCVZWOZBSCLV-UHFFFAOYSA-N
XLogP24.39
TPSA218.40 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds49
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001607.49
LogP ≤ 524.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide with MolForge

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Related Compounds

1-(4-dodecylbenzoyl)pyrrolidine-2-carboximidamide
CID 75581341
[4-[7-(cyclohexylmethoxy)heptyl]phenyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 129239353
(2S)-1-[4-(9-cyclohexylnonyl)benzoyl]-N'-methylpyrrolidine-2-carboximidamide
CID 70792439
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
CID 118734406
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 70792444
butyl (2S)-2-(4-octylbenzoyl)pyrrolidine-1-carboxylate
CID 162786126
(2S)-1-carbamimidoyl-N-[(4-octylphenyl)methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118734407
N-(1-carbamimidoylcyclopropyl)-4-[7-(cyclopentylmethoxy)heptyl]benzamide;hydrochloride
CID 53248467
1-[2-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]acetyl]cyclopropane-1-carboximidamide
CID 159302691
4-cyclohexylbutyl 4-propylbenzoate
CID 171776256
ethyl (2S)-1-(4-decoxybenzoyl)pyrrolidine-2-carboxylate
CID 56622228

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide?
The IUPAC name of [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide (CID 158954415) is [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide?
The canonical SMILES for [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide is C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCCCCCC)cc1.C=C(N)C1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1.[H]/N=C(\N)C1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1.
What is the InChIKey of [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide?
The InChIKey is JLVCVZWOZBSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O.C27H42N2O2.C25H40N2O.C24H38N2O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22;1-22(28)26-14-10-19-29(26)27(30)25-17-15-23(16-18-25)11-6-3-2-4-9-20-31-21-24-12-7-5-8-13-24;1-3-4-5-6-7-8-9-10-11-12-14-22-16-18-23(19-17-22)25(28)27-20-13-15-24(27)21(2)26;1-3-4-5-6-7-8-9-10-11-13-21-15-17-22(18-16-21)24(27)26-19-12-14-23(26)20(2)25/h17-20,22,25H,1-16,21H2,(H3,28,29);15-18,24,26H,1-14,19-21,28H2;16-19,24H,2-15,20,26H2,1H3;15-18,23H,2-14,19,25H2,1H3.
What are the key properties of [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide?
[2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide has a molecular weight of 1607.49 g/mol, XLogP of 24.39, 49 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethenyl)pyrrolidin-1-yl]-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-dodecylphenyl)methanone;[2-(1-aminoethenyl)pyrrolidin-1-yl]-(4-undecylphenyl)methanone;1-[4-(9-cyclohexylnonyl)benzoyl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 158954415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).