4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide

C14H26N2O2 — CID 115151086

IUPAC4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c15-8-5-11-1-3-12(4-2-11)14(17)16-13-6-9-18-10-7-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyPKIDXWICJKUBAR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds4

About 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 115151086) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID115151086
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c15-8-5-11-1-3-12(4-2-11)14(17)16-13-6-9-18-10-7-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyPKIDXWICJKUBAR-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 115151119
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
CID 121366970
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 43610281

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 115151086) is 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide is NCCC1CCC(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PKIDXWICJKUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-8-5-11-1-3-12(4-2-11)14(17)16-13-6-9-18-10-7-13/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).