3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 63707789

IUPAC3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCCC(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C15H28N2O2/c16-7-4-12-2-1-3-14(10-12)15(18)17-11-13-5-8-19-9-6-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyKJQRAEYPIJNEJE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 63707789) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID63707789
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCCC(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C15H28N2O2/c16-7-4-12-2-1-3-14(10-12)15(18)17-11-13-5-8-19-9-6-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyKJQRAEYPIJNEJE-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 115151119
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(3-chlorocyclohexyl)methyl]oxane-4-carboxamide
CID 106132213
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808359
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (CID 63707789) is 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is NCCC1CCCC(C(=O)NCC2CCOCC2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is KJQRAEYPIJNEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-7-4-12-2-1-3-14(10-12)15(18)17-11-13-5-8-19-9-6-13/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63707789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).