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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Related Compounds

6-[(3-ethenylphenyl)methyl]nonan-2-one
CID 143818930
4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine
CID 140670775
2-propylhept-6-enylbenzene
CID 123998172
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
1-ethenyl-3-(hexylsulfanylmethyl)benzene
CID 89419338
1-but-1-en-2-yl-3-(2-propylpentyl)benzene
CID 143530317
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787

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).