(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone

C13H23NO2 — CID 116579256

IUPAC(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-3-2-6-13(14,9-10)12(15)11-4-7-16-8-5-11/h10-11H,2-9,14H2,1H3
InChIKeyGCNKQIJTZXDFJQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.89
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone

(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone (PubChem CID 116579256) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
PubChem CID116579256
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-3-2-6-13(14,9-10)12(15)11-4-7-16-8-5-11/h10-11H,2-9,14H2,1H3
InChIKeyGCNKQIJTZXDFJQ-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
CID 116579223
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 64552763

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone (CID 116579256) is (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone is CC1CCCC(N)(C(=O)C2CCOCC2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone?
The InChIKey is GCNKQIJTZXDFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-3-2-6-13(14,9-10)12(15)11-4-7-16-8-5-11/h10-11H,2-9,14H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone?
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 116579256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).