1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide

C14H26N2O2 — CID 79638218

IUPAC1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
SMILESCC1CCCC(OC2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-2-5-11(8-10)18-12-6-3-7-14(16,9-12)13(15)17/h10-12H,2-9,16H2,1H3,(H2,15,17)
InChIKeyOXMUBJMJJFUWAZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.71
Rot. Bonds3

About 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide

1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide (PubChem CID 79638218) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
PubChem CID79638218
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
SMILESCC1CCCC(OC2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-2-5-11(8-10)18-12-6-3-7-14(16,9-12)13(15)17/h10-12H,2-9,16H2,1H3,(H2,15,17)
InChIKeyOXMUBJMJJFUWAZ-UHFFFAOYSA-N
XLogP1.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
3-(3-methylcyclohexyl)oxy-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634611
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid
CID 79648858
(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723
1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
CID 79637541
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide (CID 79638218) is 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide is CC1CCCC(OC2CCCC(N)(C(N)=O)C2)C1.
What is the InChIKey of 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide?
The InChIKey is OXMUBJMJJFUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-2-5-11(8-10)18-12-6-3-7-14(16,9-12)13(15)17/h10-12H,2-9,16H2,1H3,(H2,15,17).
What are the key properties of 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide?
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide is sourced from PubChem (CID 79638218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).