1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride

C20H39ClN2O — CID 162044829

IUPAC1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(C(=O)CCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C20H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(16-17-20)19(21)22;/h2-17H2,1H3,(H3,21,22);1H
InChIKeyPNLARLLOUNQBMM-UHFFFAOYSA-N
MW359.00 g/mol
LogP6.17
Rot. Bonds16

About 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride

1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride (PubChem CID 162044829) has the molecular formula C20H39ClN2O and a molecular weight of 359.00 g/mol. Its IUPAC name is 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride
PubChem CID162044829
Molecular FormulaC20H39ClN2O
Molecular Weight359.00 g/mol
Exact Mass358.28
IUPAC Name1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(C(=O)CCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C20H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(16-17-20)19(21)22;/h2-17H2,1H3,(H3,21,22);1H
InChIKeyPNLARLLOUNQBMM-UHFFFAOYSA-N
XLogP6.17
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.00
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide
CID 158551361
1-(1-aminocyclopropyl)tridecan-1-one
CID 116576674
1-carbamimidoyl-N-(4-decylphenyl)cyclopropane-1-carboxamide
CID 46197558
octadecanamide;hydrochloride
CID 87891779
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729

Frequently Asked Questions

What is the IUPAC name of 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride (CID 162044829) is 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1(C(=O)CCCCCCCCCCCCCCC)CC1.
What is the InChIKey of 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is PNLARLLOUNQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(16-17-20)19(21)22;/h2-17H2,1H3,(H3,21,22);1H.
What are the key properties of 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride?
1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 359.00 g/mol, XLogP of 6.17, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 162044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).