1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine

C20H23N — CID 67437631

IUPAC1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
SMILESC=C(c1ccccc1)c1ccccc1.C=CCNCC=C
InChIInChI=1S/C14H12.C6H11N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-6-4-2/h2-11H,1H2;3-4,7H,1-2,5-6H2
InChIKeyGBHHQPWMULSJDE-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.70
Rot. Bonds6

About 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine

1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine (PubChem CID 67437631) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
PubChem CID67437631
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
SMILESC=C(c1ccccc1)c1ccccc1.C=CCNCC=C
InChIInChI=1S/C14H12.C6H11N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-6-4-2/h2-11H,1H2;3-4,7H,1-2,5-6H2
InChIKeyGBHHQPWMULSJDE-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
N-methylaniline;N-prop-2-enylprop-2-en-1-amine
CID 23221751
phenol;1-phenylethenylbenzene
CID 174309625
N-(2-phenylsulfanylethyl)prop-2-en-1-amine
CID 15314258
N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene
CID 174695292
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
ethoxyethane;1-phenylethenylbenzene
CID 69353422
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine (CID 67437631) is 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine is C=C(c1ccccc1)c1ccccc1.C=CCNCC=C.
What is the InChIKey of 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is GBHHQPWMULSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C6H11N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-6-4-2/h2-11H,1H2;3-4,7H,1-2,5-6H2.
What are the key properties of 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine?
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 67437631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).