4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide

C15H28N2O2 — CID 115151067

IUPAC4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c16-11-13-1-3-14(4-2-13)15(18)17-8-5-12-6-9-19-10-7-12/h12-14H,1-11,16H2,(H,17,18)
InChIKeyMNMUJKZDTPLFNV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115151067) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID115151067
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c16-11-13-1-3-14(4-2-13)15(18)17-8-5-12-6-9-19-10-7-12/h12-14H,1-11,16H2,(H,17,18)
InChIKeyMNMUJKZDTPLFNV-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

4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 115151119
N-(2-piperidin-4-ylethyl)oxane-4-carboxamide
CID 62907394
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
2-(oxan-4-yl)ethylurea
CID 68798130
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
4-[[[4-(aminomethyl)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104963723
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151086
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide (CID 115151067) is 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCC2CCOCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MNMUJKZDTPLFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-11-13-1-3-14(4-2-13)15(18)17-8-5-12-6-9-19-10-7-12/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]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-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115151067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).