N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide

C11H23N3O — CID 79152627

IUPACN-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
SMILESCC(CN)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-10(9-12)13(2)11(15)14-7-5-3-4-6-8-14/h10H,3-9,12H2,1-2H3
InChIKeyXXBQDEMRDGSLLH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds2

About N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide

N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide (PubChem CID 79152627) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
PubChem CID79152627
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
SMILESCC(CN)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-10(9-12)13(2)11(15)14-7-5-3-4-6-8-14/h10H,3-9,12H2,1-2H3
InChIKeyXXBQDEMRDGSLLH-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
CID 79155532
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
CID 119582890
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide (CID 79152627) is N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide is CC(CN)N(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide?
The InChIKey is XXBQDEMRDGSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(9-12)13(2)11(15)14-7-5-3-4-6-8-14/h10H,3-9,12H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide?
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79152627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).