N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide

C14H29N3O — CID 79151862

IUPACN-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)N(CCN)C(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-3-13(4-2)17(12-9-15)14(18)16-10-7-5-6-8-11-16/h13H,3-12,15H2,1-2H3
InChIKeyAIXLXUPNSLMPBI-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.43
Rot. Bonds5

About N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide

N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide (PubChem CID 79151862) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
PubChem CID79151862
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)N(CCN)C(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-3-13(4-2)17(12-9-15)14(18)16-10-7-5-6-8-11-16/h13H,3-12,15H2,1-2H3
InChIKeyAIXLXUPNSLMPBI-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150270
N-(2-aminoethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 102874273
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide (CID 79151862) is N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide is CCC(CC)N(CCN)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide?
The InChIKey is AIXLXUPNSLMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13(4-2)17(12-9-15)14(18)16-10-7-5-6-8-11-16/h13H,3-12,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide?
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide is sourced from PubChem (CID 79151862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).