3-(cyclohexylmethyl)oxan-4-amine

C12H23NO — CID 82398610

IUPAC3-(cyclohexylmethyl)oxan-4-amine
SMILESNC1CCOCC1CC1CCCCC1
InChIInChI=1S/C12H23NO/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKeySYAQYXGOECEOCF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds2

About 3-(cyclohexylmethyl)oxan-4-amine

3-(cyclohexylmethyl)oxan-4-amine (PubChem CID 82398610) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)oxan-4-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)oxan-4-amine
PubChem CID82398610
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(cyclohexylmethyl)oxan-4-amine
SMILESNC1CCOCC1CC1CCCCC1
InChIInChI=1S/C12H23NO/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKeySYAQYXGOECEOCF-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-(cyclohexylmethyl)oxan-4-amine?
The IUPAC name of 3-(cyclohexylmethyl)oxan-4-amine (CID 82398610) is 3-(cyclohexylmethyl)oxan-4-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)oxan-4-amine?
The canonical SMILES for 3-(cyclohexylmethyl)oxan-4-amine is NC1CCOCC1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)oxan-4-amine?
The InChIKey is SYAQYXGOECEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2.
What are the key properties of 3-(cyclohexylmethyl)oxan-4-amine?
3-(cyclohexylmethyl)oxan-4-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-(cyclohexylmethyl)oxan-4-amine is sourced from PubChem (CID 82398610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).