1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine

C15H21N3 — CID 142157598

IUPAC1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(/C=C\C)/C=C\N)Nc1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-10-18(11-9-16)12-14(3)17-15-7-5-13(2)6-8-15/h4-11,17H,3,12,16H2,1-2H3/b10-4-,11-9-
InChIKeyPZMKGPVIZAVRND-QRZHEPDNSA-N
MW243.35 g/mol
LogP3.19
Rot. Bonds6

About 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine

1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine (PubChem CID 142157598) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine
PubChem CID142157598
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(/C=C\C)/C=C\N)Nc1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-10-18(11-9-16)12-14(3)17-15-7-5-13(2)6-8-15/h4-11,17H,3,12,16H2,1-2H3/b10-4-,11-9-
InChIKeyPZMKGPVIZAVRND-QRZHEPDNSA-N
XLogP3.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
CID 142512509
ethyl 4-[[4-(4-methylphenyl)-4-oxobut-1-en-2-yl]amino]benzoate
CID 2291713
2-bromo-N-(4-methylphenyl)ethanethioamide
CID 22464911
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine (CID 142157598) is 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine is C=C(CN(/C=C\C)/C=C\N)Nc1ccc(C)cc1.
What is the InChIKey of 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine?
The InChIKey is PZMKGPVIZAVRND-QRZHEPDNSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-10-18(11-9-16)12-14(3)17-15-7-5-13(2)6-8-15/h4-11,17H,3,12,16H2,1-2H3/b10-4-,11-9-.
What are the key properties of 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine?
1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-2-aminoethenyl]-2-N-(4-methylphenyl)-1-N-[(Z)-prop-1-enyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 142157598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).