3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine

C18H37NO — CID 82223866

IUPAC3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCCOCCCNCC1CCC(CCCC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-8-17-9-11-18(12-10-17)16-19-13-7-15-20-14-6-4-2/h17-19H,3-16H2,1-2H3
InChIKeyKFLAUXLCSDQELR-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds12

About 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine

3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine (PubChem CID 82223866) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
PubChem CID82223866
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCCOCCCNCC1CCC(CCCC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-8-17-9-11-18(12-10-17)16-19-13-7-15-20-14-6-4-2/h17-19H,3-16H2,1-2H3
InChIKeyKFLAUXLCSDQELR-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine (CID 82223866) is 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine is CCCCOCCCNCC1CCC(CCCC)CC1.
What is the InChIKey of 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine?
The InChIKey is KFLAUXLCSDQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-8-17-9-11-18(12-10-17)16-19-13-7-15-20-14-6-4-2/h17-19H,3-16H2,1-2H3.
What are the key properties of 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine?
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 82223866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).