2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine

C16H23N — CID 79328984

IUPAC2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESCCC(=CC=Cc1ccccc1)CNC(C)C
InChIInChI=1S/C16H23N/c1-4-15(13-17-14(2)3)11-8-12-16-9-6-5-7-10-16/h5-12,14,17H,4,13H2,1-3H3
InChIKeyFNGVBXAMJPJLAW-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.03
Rot. Bonds6

About 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine

2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine (PubChem CID 79328984) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine
PubChem CID79328984
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESCCC(=CC=Cc1ccccc1)CNC(C)C
InChIInChI=1S/C16H23N/c1-4-15(13-17-14(2)3)11-8-12-16-9-6-5-7-10-16/h5-12,14,17H,4,13H2,1-3H3
InChIKeyFNGVBXAMJPJLAW-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
N,3-dimethyl-6-phenylhexa-3,5-dien-2-amine
CID 103092958
2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329105
4-methylpenta-1,3-dienylbenzene
CID 3614395
2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79330007
(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine
CID 170002773
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine (CID 79328984) is 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine is CCC(=CC=Cc1ccccc1)CNC(C)C.
What is the InChIKey of 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The InChIKey is FNGVBXAMJPJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-15(13-17-14(2)3)11-8-12-16-9-6-5-7-10-16/h5-12,14,17H,4,13H2,1-3H3.
What are the key properties of 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine?
2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 79328984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).