1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide

C14H26N2O — CID 65088294

IUPAC1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
SMILESCC1(C)CCCC(NCC2CC2)(C(N)=O)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)6-3-7-14(9-8-13,12(15)17)16-10-11-4-5-11/h11,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyOZINGMTWLPUOTH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds4

About 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide

1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide (PubChem CID 65088294) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
PubChem CID65088294
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
SMILESCC1(C)CCCC(NCC2CC2)(C(N)=O)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)6-3-7-14(9-8-13,12(15)17)16-10-11-4-5-11/h11,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyOZINGMTWLPUOTH-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-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

1-(ethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088045
4-(cyclopropylmethylamino)piperidine-4-carboxamide
CID 61243741
1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735692
1-acetamidocyclobutane-1-carboxamide
CID 58720910
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate
CID 79857506
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
1-amino-4,4-dimethylcycloheptane-1-carboxamide
CID 65088095
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide?
The IUPAC name of 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide (CID 65088294) is 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide is CC1(C)CCCC(NCC2CC2)(C(N)=O)CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide?
The InChIKey is OZINGMTWLPUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)6-3-7-14(9-8-13,12(15)17)16-10-11-4-5-11/h11,16H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide?
1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide is sourced from PubChem (CID 65088294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).