2-(2-ethenylphenyl)-2-propylpentan-1-amine

C16H25N — CID 67926349

IUPAC2-(2-ethenylphenyl)-2-propylpentan-1-amine
SMILESC=Cc1ccccc1C(CN)(CCC)CCC
InChIInChI=1S/C16H25N/c1-4-11-16(13-17,12-5-2)15-10-8-7-9-14(15)6-3/h6-10H,3-5,11-13,17H2,1-2H3
InChIKeyORLINUSJNYFPBO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.13
Rot. Bonds7

About 2-(2-ethenylphenyl)-2-propylpentan-1-amine

2-(2-ethenylphenyl)-2-propylpentan-1-amine (PubChem CID 67926349) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethenylphenyl)-2-propylpentan-1-amine
PubChem CID67926349
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2-ethenylphenyl)-2-propylpentan-1-amine
SMILESC=Cc1ccccc1C(CN)(CCC)CCC
InChIInChI=1S/C16H25N/c1-4-11-16(13-17,12-5-2)15-10-8-7-9-14(15)6-3/h6-10H,3-5,11-13,17H2,1-2H3
InChIKeyORLINUSJNYFPBO-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(2-ethenylphenyl)-2-propylpentan-1-amine (CID 67926349) is 2-(2-ethenylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2-ethenylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(2-ethenylphenyl)-2-propylpentan-1-amine is C=Cc1ccccc1C(CN)(CCC)CCC.
What is the InChIKey of 2-(2-ethenylphenyl)-2-propylpentan-1-amine?
The InChIKey is ORLINUSJNYFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-11-16(13-17,12-5-2)15-10-8-7-9-14(15)6-3/h6-10H,3-5,11-13,17H2,1-2H3.
What are the key properties of 2-(2-ethenylphenyl)-2-propylpentan-1-amine?
2-(2-ethenylphenyl)-2-propylpentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 67926349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).