N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide

C12H25N3O — CID 43253394

IUPACN-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
SMILESCN(CCCN)C(=O)CN1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-14(8-6-7-13)12(16)11-15-9-4-2-3-5-10-15/h2-11,13H2,1H3
InChIKeyBMNNQWCONSHNPJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds5

About N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide

N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide (PubChem CID 43253394) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
PubChem CID43253394
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
SMILESCN(CCCN)C(=O)CN1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-14(8-6-7-13)12(16)11-15-9-4-2-3-5-10-15/h2-11,13H2,1H3
InChIKeyBMNNQWCONSHNPJ-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
CID 103531208
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
CID 43309505
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N-(3-aminopropyl)-N-methyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 60973784
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide (CID 43253394) is N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide is CN(CCCN)C(=O)CN1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide?
The InChIKey is BMNNQWCONSHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14(8-6-7-13)12(16)11-15-9-4-2-3-5-10-15/h2-11,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide?
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide is sourced from PubChem (CID 43253394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).