2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

C16H31N3O — CID 65456059

IUPAC2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCC(C)CN2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-12-5-6-15(17)14(9-12)16(20)18-10-13(2)11-19-7-3-4-8-19/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyGKTXEIWMSRETBK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 65456059) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID65456059
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCC(C)CN2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-12-5-6-15(17)14(9-12)16(20)18-10-13(2)11-19-7-3-4-8-19/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyGKTXEIWMSRETBK-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-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-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390973
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 65456243
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
2-amino-5-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 65454339
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 102778898

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 65456059) is 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is CC1CCC(N)C(C(=O)NCC(C)CN2CCCC2)C1.
What is the InChIKey of 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is GKTXEIWMSRETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-5-6-15(17)14(9-12)16(20)18-10-13(2)11-19-7-3-4-8-19/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65456059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).