4-[(3-ethenylphenyl)methyl]heptan-1-amine

C16H25N — CID 140670772

IUPAC4-[(3-ethenylphenyl)methyl]heptan-1-amine
SMILESC=Cc1cccc(CC(CCC)CCCN)c1
InChIInChI=1S/C16H25N/c1-3-7-15(10-6-11-17)13-16-9-5-8-14(4-2)12-16/h4-5,8-9,12,15H,2-3,6-7,10-11,13,17H2,1H3
InChIKeyNSPVYZJWSGEOLN-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.03
Rot. Bonds8

About 4-[(3-ethenylphenyl)methyl]heptan-1-amine

4-[(3-ethenylphenyl)methyl]heptan-1-amine (PubChem CID 140670772) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[(3-ethenylphenyl)methyl]heptan-1-amine.

Molecular Properties

Compound Name4-[(3-ethenylphenyl)methyl]heptan-1-amine
PubChem CID140670772
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-[(3-ethenylphenyl)methyl]heptan-1-amine
SMILESC=Cc1cccc(CC(CCC)CCCN)c1
InChIInChI=1S/C16H25N/c1-3-7-15(10-6-11-17)13-16-9-5-8-14(4-2)12-16/h4-5,8-9,12,15H,2-3,6-7,10-11,13,17H2,1H3
InChIKeyNSPVYZJWSGEOLN-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethenylphenyl)methyl]heptan-1-amine?
The IUPAC name of 4-[(3-ethenylphenyl)methyl]heptan-1-amine (CID 140670772) is 4-[(3-ethenylphenyl)methyl]heptan-1-amine.
What is the SMILES notation for 4-[(3-ethenylphenyl)methyl]heptan-1-amine?
The canonical SMILES for 4-[(3-ethenylphenyl)methyl]heptan-1-amine is C=Cc1cccc(CC(CCC)CCCN)c1.
What is the InChIKey of 4-[(3-ethenylphenyl)methyl]heptan-1-amine?
The InChIKey is NSPVYZJWSGEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-7-15(10-6-11-17)13-16-9-5-8-14(4-2)12-16/h4-5,8-9,12,15H,2-3,6-7,10-11,13,17H2,1H3.
What are the key properties of 4-[(3-ethenylphenyl)methyl]heptan-1-amine?
4-[(3-ethenylphenyl)methyl]heptan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethenylphenyl)methyl]heptan-1-amine is sourced from PubChem (CID 140670772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).