N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide

C13H26N2O — CID 115737510

IUPACN-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
SMILESCN(CCCN)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-15(10-6-9-14)13(16)11-12-7-4-2-3-5-8-12/h12H,2-11,14H2,1H3
InChIKeyZHEUSSLGLMCCDT-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds5

About N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide

N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide (PubChem CID 115737510) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
PubChem CID115737510
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
SMILESCN(CCCN)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-15(10-6-9-14)13(16)11-12-7-4-2-3-5-8-12/h12H,2-11,14H2,1H3
InChIKeyZHEUSSLGLMCCDT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3-aminopropyl)-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-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 114456979
N-(3-aminopropyl)-2-cyclohexyloxy-N-methylacetamide
CID 43253953
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
2-cyclopentyl-N-methyl-N-(2-oxoethyl)acetamide
CID 88582522
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63725529
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide (CID 115737510) is N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide is CN(CCCN)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide?
The InChIKey is ZHEUSSLGLMCCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(10-6-9-14)13(16)11-12-7-4-2-3-5-8-12/h12H,2-11,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide?
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 115737510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).