5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine

C16H28N2O — CID 103389871

IUPAC5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCCC(C)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-14(15-7-4-3-5-8-15)10-12-18-16(13-19-2)9-6-11-17/h3-5,7-8,14,16,18H,6,9-13,17H2,1-2H3
InChIKeySCALZUCMXIJINS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.52
Rot. Bonds10

About 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine

5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine (PubChem CID 103389871) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
PubChem CID103389871
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCCC(C)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-14(15-7-4-3-5-8-15)10-12-18-16(13-19-2)9-6-11-17/h3-5,7-8,14,16,18H,6,9-13,17H2,1-2H3
InChIKeySCALZUCMXIJINS-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine (CID 103389871) is 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine is COCC(CCCN)NCCC(C)c1ccccc1.
What is the InChIKey of 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine?
The InChIKey is SCALZUCMXIJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(15-7-4-3-5-8-15)10-12-18-16(13-19-2)9-6-11-17/h3-5,7-8,14,16,18H,6,9-13,17H2,1-2H3.
What are the key properties of 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine?
5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 103389871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).