3-[(3-methylcyclohexyl)methyl]oxolan-3-amine

C12H23NO — CID 130596584

IUPAC3-[(3-methylcyclohexyl)methyl]oxolan-3-amine
SMILESCC1CCCC(CC2(N)CCOC2)C1
InChIInChI=1S/C12H23NO/c1-10-3-2-4-11(7-10)8-12(13)5-6-14-9-12/h10-11H,2-9,13H2,1H3
InChIKeyQIQCCICIOYFNIL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds2

About 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine

3-[(3-methylcyclohexyl)methyl]oxolan-3-amine (PubChem CID 130596584) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)methyl]oxolan-3-amine
PubChem CID130596584
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(3-methylcyclohexyl)methyl]oxolan-3-amine
SMILESCC1CCCC(CC2(N)CCOC2)C1
InChIInChI=1S/C12H23NO/c1-10-3-2-4-11(7-10)8-12(13)5-6-14-9-12/h10-11H,2-9,13H2,1H3
InChIKeyQIQCCICIOYFNIL-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine (CID 130596584) is 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine is CC1CCCC(CC2(N)CCOC2)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine?
The InChIKey is QIQCCICIOYFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-3-2-4-11(7-10)8-12(13)5-6-14-9-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine?
3-[(3-methylcyclohexyl)methyl]oxolan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)methyl]oxolan-3-amine is sourced from PubChem (CID 130596584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).