1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide

C14H27N3O2 — CID 109133696

IUPAC1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-6-7-15-13(18)11-10-12(11)14(19)16-8-9-17(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHJHHFTUOEFPDAN-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds9

About 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide (PubChem CID 109133696) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
PubChem CID109133696
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-6-7-15-13(18)11-10-12(11)14(19)16-8-9-17(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHJHHFTUOEFPDAN-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105177
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133090
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133636
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide (CID 109133696) is 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide is CCCCCNC(=O)C1CC1C(=O)NCCN(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide?
The InChIKey is HJHHFTUOEFPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-6-7-15-13(18)11-10-12(11)14(19)16-8-9-17(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).