N-ethenyl-3-(1-phenylethenyl)hexan-1-amine

C16H23N — CID 129044009

IUPACN-ethenyl-3-(1-phenylethenyl)hexan-1-amine
SMILESC=CNCCC(CCC)C(=C)c1ccccc1
InChIInChI=1S/C16H23N/c1-4-9-15(12-13-17-5-2)14(3)16-10-7-6-8-11-16/h5-8,10-11,15,17H,2-4,9,12-13H2,1H3
InChIKeyWNOAVIZPIKKHAX-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.24
Rot. Bonds8

About N-ethenyl-3-(1-phenylethenyl)hexan-1-amine

N-ethenyl-3-(1-phenylethenyl)hexan-1-amine (PubChem CID 129044009) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethenyl-3-(1-phenylethenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-(1-phenylethenyl)hexan-1-amine
PubChem CID129044009
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethenyl-3-(1-phenylethenyl)hexan-1-amine
SMILESC=CNCCC(CCC)C(=C)c1ccccc1
InChIInChI=1S/C16H23N/c1-4-9-15(12-13-17-5-2)14(3)16-10-7-6-8-11-16/h5-8,10-11,15,17H,2-4,9,12-13H2,1H3
InChIKeyWNOAVIZPIKKHAX-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.24
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-ethenyl-3-(1-phenylethenyl)hexan-1-amine?
The IUPAC name of N-ethenyl-3-(1-phenylethenyl)hexan-1-amine (CID 129044009) is N-ethenyl-3-(1-phenylethenyl)hexan-1-amine.
What is the SMILES notation for N-ethenyl-3-(1-phenylethenyl)hexan-1-amine?
The canonical SMILES for N-ethenyl-3-(1-phenylethenyl)hexan-1-amine is C=CNCCC(CCC)C(=C)c1ccccc1.
What is the InChIKey of N-ethenyl-3-(1-phenylethenyl)hexan-1-amine?
The InChIKey is WNOAVIZPIKKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-9-15(12-13-17-5-2)14(3)16-10-7-6-8-11-16/h5-8,10-11,15,17H,2-4,9,12-13H2,1H3.
What are the key properties of N-ethenyl-3-(1-phenylethenyl)hexan-1-amine?
N-ethenyl-3-(1-phenylethenyl)hexan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(1-phenylethenyl)hexan-1-amine is sourced from PubChem (CID 129044009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).