1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide

C14H26N2O2 — CID 64552758

IUPAC1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-8-14(15,9-10)13(18)16-11-6-2-3-7-12(11)17/h10-12,17H,2-9,15H2,1H3,(H,16,18)
InChIKeyJKALCGWRDSXXMI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds2

About 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64552758) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64552758
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-8-14(15,9-10)13(18)16-11-6-2-3-7-12(11)17/h10-12,17H,2-9,15H2,1H3,(H,16,18)
InChIKeyJKALCGWRDSXXMI-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
CID 113394747
1-amino-N-(2,3-dimethylcyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 64909548
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-(1,1-dioxothian-3-yl)-3-methylcyclohexane-1-carboxamide
CID 64554877
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
CID 104927764

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide (CID 64552758) is 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NC2CCCCC2O)C1.
What is the InChIKey of 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is JKALCGWRDSXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-5-4-8-14(15,9-10)13(18)16-11-6-2-3-7-12(11)17/h10-12,17H,2-9,15H2,1H3,(H,16,18).
What are the key properties of 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).