3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide

C14H26N2O2 — CID 104530465

IUPAC3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCC(O)C2)C1
InChIInChI=1S/C14H26N2O2/c15-12-5-2-4-11(8-12)14(18)16-9-10-3-1-6-13(17)7-10/h10-13,17H,1-9,15H2,(H,16,18)
InChIKeyXJEXBGIHPHAXFB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (PubChem CID 104530465) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
PubChem CID104530465
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCC(O)C2)C1
InChIInChI=1S/C14H26N2O2/c15-12-5-2-4-11(8-12)14(18)16-9-10-3-1-6-13(17)7-10/h10-13,17H,1-9,15H2,(H,16,18)
InChIKeyXJEXBGIHPHAXFB-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122080350
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 80584681
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (CID 104530465) is 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCCC(O)C2)C1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XJEXBGIHPHAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-12-5-2-4-11(8-12)14(18)16-9-10-3-1-6-13(17)7-10/h10-13,17H,1-9,15H2,(H,16,18).
What are the key properties of 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104530465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).