1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine

C12H16N2 — CID 150631626

IUPAC1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
SMILESCC=CNc1ccc(NC=CC)cc1
InChIInChI=1S/C12H16N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-10,13-14H,1-2H3
InChIKeyIXZVPDXFMXUOKR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.58
Rot. Bonds4

About 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine

1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine (PubChem CID 150631626) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
PubChem CID150631626
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
SMILESCC=CNc1ccc(NC=CC)cc1
InChIInChI=1S/C12H16N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-10,13-14H,1-2H3
InChIKeyIXZVPDXFMXUOKR-UHFFFAOYSA-N
XLogP3.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;bis(N-prop-1-enylaniline)
CID 70363490
ethene;N-phenylmethanimine;N-[(E)-prop-1-enyl]aniline
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3-(4-methylanilino)prop-2-enenitrile
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N-[(Z)-but-1-enyl]-4-ethylaniline
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2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride
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(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
2-anilinoethenol
CID 154058037
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine
CID 145373416

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine (CID 150631626) is 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine is CC=CNc1ccc(NC=CC)cc1.
What is the InChIKey of 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine?
The InChIKey is IXZVPDXFMXUOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-10,13-14H,1-2H3.
What are the key properties of 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine?
1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine has a molecular weight of 188.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine is sourced from PubChem (CID 150631626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).