3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 62808359

IUPAC3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)NCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h10-12H,1-9,14H2,(H,15,16)
InChIKeyQOXXALYBNABFME-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 62808359) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID62808359
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)NCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h10-12H,1-9,14H2,(H,15,16)
InChIKeyQOXXALYBNABFME-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808740
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 62808359) is 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is NCC1CCCC(C(=O)NCC2CCCO2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QOXXALYBNABFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62808359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).