(2-cyclobutyloxy-4-methylcyclohexyl)methanamine

C12H23NO — CID 114995524

IUPAC(2-cyclobutyloxy-4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(OC2CCC2)C1
InChIInChI=1S/C12H23NO/c1-9-5-6-10(8-13)12(7-9)14-11-3-2-4-11/h9-12H,2-8,13H2,1H3
InChIKeyIOMIRRJQYSUBFU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds3

About (2-cyclobutyloxy-4-methylcyclohexyl)methanamine

(2-cyclobutyloxy-4-methylcyclohexyl)methanamine (PubChem CID 114995524) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2-cyclobutyloxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutyloxy-4-methylcyclohexyl)methanamine
PubChem CID114995524
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2-cyclobutyloxy-4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(OC2CCC2)C1
InChIInChI=1S/C12H23NO/c1-9-5-6-10(8-13)12(7-9)14-11-3-2-4-11/h9-12H,2-8,13H2,1H3
InChIKeyIOMIRRJQYSUBFU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyloxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (2-cyclobutyloxy-4-methylcyclohexyl)methanamine (CID 114995524) is (2-cyclobutyloxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (2-cyclobutyloxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (2-cyclobutyloxy-4-methylcyclohexyl)methanamine is CC1CCC(CN)C(OC2CCC2)C1.
What is the InChIKey of (2-cyclobutyloxy-4-methylcyclohexyl)methanamine?
The InChIKey is IOMIRRJQYSUBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-6-10(8-13)12(7-9)14-11-3-2-4-11/h9-12H,2-8,13H2,1H3.
What are the key properties of (2-cyclobutyloxy-4-methylcyclohexyl)methanamine?
(2-cyclobutyloxy-4-methylcyclohexyl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyloxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 114995524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).