N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide

C13H26N2O — CID 115737376

IUPACN-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11(10-14)15(2)13(16)9-12-7-5-3-4-6-8-12/h11-12H,3-10,14H2,1-2H3
InChIKeyYVVHAMVHEUNBLB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide

N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide (PubChem CID 115737376) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
PubChem CID115737376
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11(10-14)15(2)13(16)9-12-7-5-3-4-6-8-12/h11-12H,3-10,14H2,1-2H3
InChIKeyYVVHAMVHEUNBLB-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide 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-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 114456979
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
N-(1-aminopropan-2-yl)-3-cyclopentyl-N,2-dimethylpropanamide;hydrochloride
CID 119582687
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
2-(3-aminocyclohexyl)-N-butan-2-yl-N-methylacetamide
CID 62781673
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 55215076
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide (CID 115737376) is N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide is CC(CN)N(C)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The InChIKey is YVVHAMVHEUNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(10-14)15(2)13(16)9-12-7-5-3-4-6-8-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 4 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)-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 115737376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).