(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine

C15H23N — CID 116546320

IUPAC(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine
SMILESC/C(=C\CCN)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H23N/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10,16H2,1-3H3/b13-6+
InChIKeyPEXDIOSGGPYKCB-AWNIVKPZSA-N
MW217.36 g/mol
LogP3.64
Rot. Bonds5

About (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine

(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine (PubChem CID 116546320) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine
PubChem CID116546320
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine
SMILESC/C(=C\CCN)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H23N/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10,16H2,1-3H3/b13-6+
InChIKeyPEXDIOSGGPYKCB-AWNIVKPZSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene
CID 116546317
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546322
3-(2-methylpropyl)benzamide
CID 23130390
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
(E)-1-[3-(2-methylpropyl)phenyl]but-2-en-1-one
CID 103453516
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(2-methylpropyl)benzenecarbothioamide
CID 23333039
3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one
CID 116567154
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361

Frequently Asked Questions

What is the IUPAC name of (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine?
The IUPAC name of (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine (CID 116546320) is (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine?
The canonical SMILES for (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine is C/C(=C\CCN)c1cccc(CC(C)C)c1.
What is the InChIKey of (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine?
The InChIKey is PEXDIOSGGPYKCB-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)10-14-7-4-8-15(11-14)13(3)6-5-9-16/h4,6-8,11-12H,5,9-10,16H2,1-3H3/b13-6+.
What are the key properties of (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine?
(E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-(2-methylpropyl)phenyl]pent-3-en-1-amine is sourced from PubChem (CID 116546320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).