1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine

C16H31NO — CID 126539680

IUPAC1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H31NO/c1-3-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h12-16H,3-11,17H2,1-2H3
InChIKeyLMAMEZGHCXCJRH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine

1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine (PubChem CID 126539680) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
PubChem CID126539680
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H31NO/c1-3-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h12-16H,3-11,17H2,1-2H3
InChIKeyLMAMEZGHCXCJRH-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine (CID 126539680) is 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine is CCC(N)C1CCC(C2CCC(OC)CC2)CC1.
What is the InChIKey of 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine?
The InChIKey is LMAMEZGHCXCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine?
1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 126539680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).