(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine

C17H21N — CID 155275528

IUPAC(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine
SMILESC=CN/C=C(\CC)c1ccccc1C(=C)C(=C)C
InChIInChI=1S/C17H21N/c1-6-15(12-18-7-2)17-11-9-8-10-16(17)14(5)13(3)4/h7-12,18H,2-3,5-6H2,1,4H3/b15-12+
InChIKeyUWOSFDJVTILSNB-NTCAYCPXSA-N
MW239.36 g/mol
LogP4.76
Rot. Bonds6

About (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine

(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine (PubChem CID 155275528) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine
PubChem CID155275528
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine
SMILESC=CN/C=C(\CC)c1ccccc1C(=C)C(=C)C
InChIInChI=1S/C17H21N/c1-6-15(12-18-7-2)17-11-9-8-10-16(17)14(5)13(3)4/h7-12,18H,2-3,5-6H2,1,4H3/b15-12+
InChIKeyUWOSFDJVTILSNB-NTCAYCPXSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine with MolForge

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Related Compounds

ethyl 2-(3-methylbuta-1,3-dien-2-yl)benzoate
CID 10512902
2-but-1-en-2-yl-N-ethenylaniline
CID 174359316
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
2-[(E)-2-(2-hydroxyphenyl)but-1-enyl]phenol
CID 67778845
(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
CID 134526752
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine
CID 153352276
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
ethenamine;prop-1-en-2-ylbenzene
CID 172805831

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine?
The IUPAC name of (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine (CID 155275528) is (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine.
What is the SMILES notation for (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine?
The canonical SMILES for (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine is C=CN/C=C(\CC)c1ccccc1C(=C)C(=C)C.
What is the InChIKey of (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine?
The InChIKey is UWOSFDJVTILSNB-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H21N/c1-6-15(12-18-7-2)17-11-9-8-10-16(17)14(5)13(3)4/h7-12,18H,2-3,5-6H2,1,4H3/b15-12+.
What are the key properties of (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine?
(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine is sourced from PubChem (CID 155275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).