N-(3-phenylbutyl)hexan-1-amine

C16H27N — CID 63420973

IUPACN-(3-phenylbutyl)hexan-1-amine
SMILESCCCCCCNCCC(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14H2,1-2H3
InChIKeyMTFPLIRUNWDDHF-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.35
Rot. Bonds9

About N-(3-phenylbutyl)hexan-1-amine

N-(3-phenylbutyl)hexan-1-amine (PubChem CID 63420973) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(3-phenylbutyl)hexan-1-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)hexan-1-amine
PubChem CID63420973
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(3-phenylbutyl)hexan-1-amine
SMILESCCCCCCNCCC(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14H2,1-2H3
InChIKeyMTFPLIRUNWDDHF-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(3-phenylbutyl)hexan-1-amine?
The IUPAC name of N-(3-phenylbutyl)hexan-1-amine (CID 63420973) is N-(3-phenylbutyl)hexan-1-amine.
What is the SMILES notation for N-(3-phenylbutyl)hexan-1-amine?
The canonical SMILES for N-(3-phenylbutyl)hexan-1-amine is CCCCCCNCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)hexan-1-amine?
The InChIKey is MTFPLIRUNWDDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-(3-phenylbutyl)hexan-1-amine?
N-(3-phenylbutyl)hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)hexan-1-amine is sourced from PubChem (CID 63420973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).