4-phenylhex-3-en-3-amine

C12H17N — CID 140615450

IUPAC4-phenylhex-3-en-3-amine
SMILESCCC(N)=C(CC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(12(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4,13H2,1-2H3
InChIKeyFZCSYQHFQPPADF-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.18
Rot. Bonds3

About 4-phenylhex-3-en-3-amine

4-phenylhex-3-en-3-amine (PubChem CID 140615450) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-phenylhex-3-en-3-amine.

Molecular Properties

Compound Name4-phenylhex-3-en-3-amine
PubChem CID140615450
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-phenylhex-3-en-3-amine
SMILESCCC(N)=C(CC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(12(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4,13H2,1-2H3
InChIKeyFZCSYQHFQPPADF-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
(Z)-2-chloro-3-phenylpent-2-enamide
CID 22020272
(E)-2-methyl-3-phenylpent-2-en-1-ol
CID 134126530
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
(Z)-2,3-diphenylpent-2-enoic acid
CID 67236453
10-phenyloctadec-9-en-9-amine
CID 140615449
2-nitrosopent-2-en-3-ylbenzene
CID 90886077
ethyl (E)-2-methyl-3-phenylpent-2-enoate
CID 11310524
ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176

Frequently Asked Questions

What is the IUPAC name of 4-phenylhex-3-en-3-amine?
The IUPAC name of 4-phenylhex-3-en-3-amine (CID 140615450) is 4-phenylhex-3-en-3-amine.
What is the SMILES notation for 4-phenylhex-3-en-3-amine?
The canonical SMILES for 4-phenylhex-3-en-3-amine is CCC(N)=C(CC)c1ccccc1.
What is the InChIKey of 4-phenylhex-3-en-3-amine?
The InChIKey is FZCSYQHFQPPADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11(12(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4,13H2,1-2H3.
What are the key properties of 4-phenylhex-3-en-3-amine?
4-phenylhex-3-en-3-amine has a molecular weight of 175.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylhex-3-en-3-amine is sourced from PubChem (CID 140615450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).