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

C16H31NO2 — CID 160735998

IUPAC4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine
SMILESCC1CCC(OC(C)(C)OC2CCC(N)CC2)CC1
InChIInChI=1S/C16H31NO2/c1-12-4-8-14(9-5-12)18-16(2,3)19-15-10-6-13(17)7-11-15/h12-15H,4-11,17H2,1-3H3
InChIKeyXJMKZZJPUJGONO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.60
Rot. Bonds4

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

4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine (PubChem CID 160735998) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine
PubChem CID160735998
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine
SMILESCC1CCC(OC(C)(C)OC2CCC(N)CC2)CC1
InChIInChI=1S/C16H31NO2/c1-12-4-8-14(9-5-12)18-16(2,3)19-15-10-6-13(17)7-11-15/h12-15H,4-11,17H2,1-3H3
InChIKeyXJMKZZJPUJGONO-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine (CID 160735998) is 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine is CC1CCC(OC(C)(C)OC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine?
The InChIKey is XJMKZZJPUJGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12-4-8-14(9-5-12)18-16(2,3)19-15-10-6-13(17)7-11-15/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine?
4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine is sourced from PubChem (CID 160735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).