4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine

C16H31NO — CID 155238979

IUPAC4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(OC(C)(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H31NO/c1-12-4-10-15(11-5-12)18-16(2,3)13-6-8-14(17)9-7-13/h12-15H,4-11,17H2,1-3H3
InChIKeyQSPIOMHKHAMRJT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds3

About 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine

4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine (PubChem CID 155238979) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine
PubChem CID155238979
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(OC(C)(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H31NO/c1-12-4-10-15(11-5-12)18-16(2,3)13-6-8-14(17)9-7-13/h12-15H,4-11,17H2,1-3H3
InChIKeyQSPIOMHKHAMRJT-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine (CID 155238979) is 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine is CC1CCC(OC(C)(C)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine?
The InChIKey is QSPIOMHKHAMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-4-10-15(11-5-12)18-16(2,3)13-6-8-14(17)9-7-13/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine?
4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylcyclohexyl)oxypropan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 155238979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).