3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide

C12H23N3O — CID 62061626

IUPAC3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
SMILESNCC1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c13-8-10-6-7-15(9-10)12(16)14-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H,14,16)
InChIKeyUTBIWHRRNVJTBV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.31
Rot. Bonds2

About 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide

3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide (PubChem CID 62061626) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
PubChem CID62061626
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
SMILESNCC1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c13-8-10-6-7-15(9-10)12(16)14-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H,14,16)
InChIKeyUTBIWHRRNVJTBV-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 114960745
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide (CID 62061626) is 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide is NCC1CCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide?
The InChIKey is UTBIWHRRNVJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-8-10-6-7-15(9-10)12(16)14-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide?
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide is sourced from PubChem (CID 62061626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).