4-(4-methylpentoxy)-N-propylcyclohexan-1-amine

C15H31NO — CID 113414086

IUPAC4-(4-methylpentoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCCC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-4-11-16-14-7-9-15(10-8-14)17-12-5-6-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyIRFSZCUVWFLUEO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds8

About 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine

4-(4-methylpentoxy)-N-propylcyclohexan-1-amine (PubChem CID 113414086) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methylpentoxy)-N-propylcyclohexan-1-amine
PubChem CID113414086
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-(4-methylpentoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCCC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-4-11-16-14-7-9-15(10-8-14)17-12-5-6-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyIRFSZCUVWFLUEO-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine (CID 113414086) is 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine is CCCNC1CCC(OCCCC(C)C)CC1.
What is the InChIKey of 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine?
The InChIKey is IRFSZCUVWFLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-11-16-14-7-9-15(10-8-14)17-12-5-6-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine?
4-(4-methylpentoxy)-N-propylcyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 113414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).