1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine

C12H21N3 — CID 155728081

IUPAC1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
SMILESC=C(N)NCC(/C=C\C(C)=N\C)=C\CC
InChIInChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8,15H,3,5,9,13H2,1-2,4H3/b8-7-,12-6-,14-10+
InChIKeyDZYPFBOUEKDXTG-MLSDAXRQSA-N
MW207.32 g/mol
LogP1.99
Rot. Bonds6

About 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine

1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine (PubChem CID 155728081) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
PubChem CID155728081
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
SMILESC=C(N)NCC(/C=C\C(C)=N\C)=C\CC
InChIInChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8,15H,3,5,9,13H2,1-2,4H3/b8-7-,12-6-,14-10+
InChIKeyDZYPFBOUEKDXTG-MLSDAXRQSA-N
XLogP1.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine
CID 121329495
N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine
CID 123568221
N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
CID 123740090
(2E,4Z)-6-imino-2-methyl-N,N'-dipropylhepta-2,4-diene-1,7-diamine
CID 124112563
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
CID 138750425
(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine
CID 143011685
(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane
CID 143195755
ethane;(5E,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyrimidine
CID 143256264
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine
CID 143256557
ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
CID 143256634

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine (CID 155728081) is 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine is C=C(N)NCC(/C=C\C(C)=N\C)=C\CC.
What is the InChIKey of 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine?
The InChIKey is DZYPFBOUEKDXTG-MLSDAXRQSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8,15H,3,5,9,13H2,1-2,4H3/b8-7-,12-6-,14-10+.
What are the key properties of 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine?
1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine is sourced from PubChem (CID 155728081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).