5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

C18H35NO — CID 137428509

IUPAC5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCCCOC1CCC(CC2CCC(C)CC2)C(N)C1
InChIInChI=1S/C18H35NO/c1-3-4-11-20-17-10-9-16(18(19)13-17)12-15-7-5-14(2)6-8-15/h14-18H,3-13,19H2,1-2H3
InChIKeyWPKSEKFQGJGYSM-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.52
Rot. Bonds6

About 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 137428509) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID137428509
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCCCOC1CCC(CC2CCC(C)CC2)C(N)C1
InChIInChI=1S/C18H35NO/c1-3-4-11-20-17-10-9-16(18(19)13-17)12-15-7-5-14(2)6-8-15/h14-18H,3-13,19H2,1-2H3
InChIKeyWPKSEKFQGJGYSM-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (CID 137428509) is 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is CCCCOC1CCC(CC2CCC(C)CC2)C(N)C1.
What is the InChIKey of 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is WPKSEKFQGJGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-4-11-20-17-10-9-16(18(19)13-17)12-15-7-5-14(2)6-8-15/h14-18H,3-13,19H2,1-2H3.
What are the key properties of 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 137428509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).