2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine

C16H31NO — CID 64747111

IUPAC2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
SMILESCC1CCC(OC2CCCCCCC2N)CC1C
InChIInChI=1S/C16H31NO/c1-12-9-10-14(11-13(12)2)18-16-8-6-4-3-5-7-15(16)17/h12-16H,3-11,17H2,1-2H3
InChIKeyNBQWDZHMRXGOAL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine

2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine (PubChem CID 64747111) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
PubChem CID64747111
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
SMILESCC1CCC(OC2CCCCCCC2N)CC1C
InChIInChI=1S/C16H31NO/c1-12-9-10-14(11-13(12)2)18-16-8-6-4-3-5-7-15(16)17/h12-16H,3-11,17H2,1-2H3
InChIKeyNBQWDZHMRXGOAL-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine (CID 64747111) is 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine is CC1CCC(OC2CCCCCCC2N)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine?
The InChIKey is NBQWDZHMRXGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-9-10-14(11-13(12)2)18-16-8-6-4-3-5-7-15(16)17/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine?
2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine is sourced from PubChem (CID 64747111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).