N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide

C14H28N2O — CID 114456979

IUPACN-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN)CN(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(10-15)11-16(2)14(17)9-13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3
InChIKeyMJDNKSZFUHUIAP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide

N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide (PubChem CID 114456979) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
PubChem CID114456979
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN)CN(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(10-15)11-16(2)14(17)9-13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3
InChIKeyMJDNKSZFUHUIAP-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2-methylpropyl)-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-amino-2-methylpropyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 115272471
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
2-cyclohexyl-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide
CID 20608406
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
2-cyclopentyl-N-methyl-N-(2-oxoethyl)acetamide
CID 88582522
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide (CID 114456979) is N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide is CC(CN)CN(C)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The InChIKey is MJDNKSZFUHUIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(10-15)11-16(2)14(17)9-13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114456979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).