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

C15H28N2O2 — CID 115151119

IUPAC4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c16-8-5-12-1-3-14(4-2-12)15(18)17-11-13-6-9-19-10-7-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyOBWSUYJYOCKVRV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds5

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

4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115151119) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115151119
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCC(C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c16-8-5-12-1-3-14(4-2-12)15(18)17-11-13-6-9-19-10-7-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyOBWSUYJYOCKVRV-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-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151086
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (CID 115151119) is 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is NCCC1CCC(C(=O)NCC2CCOCC2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is OBWSUYJYOCKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-8-5-12-1-3-14(4-2-12)15(18)17-11-13-6-9-19-10-7-13/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
4-(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 4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).