1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide

C15H28N2O — CID 63956979

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
SMILESCCN(CC1CC1)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N2O/c1-2-17(11-13-7-8-13)14(18)15(12-16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3
InChIKeyDFRKWCKGNCNFGV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide

1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide (PubChem CID 63956979) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
PubChem CID63956979
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
SMILESCCN(CC1CC1)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N2O/c1-2-17(11-13-7-8-13)14(18)15(12-16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3
InChIKeyDFRKWCKGNCNFGV-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-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

4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441782
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide
CID 62923934
2-[[1-(aminomethyl)cycloheptanecarbonyl]-(carboxymethyl)amino]acetic acid
CID 115444111
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
N-(cyclopropylmethyl)-1-ethyl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106608662

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide (CID 63956979) is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide is CCN(CC1CC1)C(=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide?
The InChIKey is DFRKWCKGNCNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-17(11-13-7-8-13)14(18)15(12-16)9-5-3-4-6-10-15/h13H,2-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide?
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide is sourced from PubChem (CID 63956979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).