1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine

C12H16N2 — CID 134219544

IUPAC1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
SMILESC=C(C)Nc1ccc(NC(=C)C)cc1
InChIInChI=1S/C12H16N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-8,13-14H,1,3H2,2,4H3
InChIKeyCSGXNJSAGLGRFB-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.58
Rot. Bonds4

About 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine

1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine (PubChem CID 134219544) 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-en-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
PubChem CID134219544
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
SMILESC=C(C)Nc1ccc(NC(=C)C)cc1
InChIInChI=1S/C12H16N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-8,13-14H,1,3H2,2,4H3
InChIKeyCSGXNJSAGLGRFB-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

4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
CID 154659493
4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
CID 143052053
3-(prop-1-en-2-ylamino)phenol
CID 143950523
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen
CID 145121367
1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 167132374
1-N-[(4-pentylphenyl)methyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 138455661
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
N-[4-(1-acetamidoethenyl)phenyl]acetamide
CID 102524968
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine (CID 134219544) is 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine is C=C(C)Nc1ccc(NC(=C)C)cc1.
What is the InChIKey of 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine?
The InChIKey is CSGXNJSAGLGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-8,13-14H,1,3H2,2,4H3.
What are the key properties of 1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine?
1-N,4-N-bis(prop-1-en-2-yl)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-en-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 134219544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).