ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine

C12H20N2 — CID 156853431

IUPACethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=CN(N=C)C(=C)/C=C\C(=C)C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-6-12(11-5)10(4)8-7-9(2)3;1-2/h6-8H,1-2,4-5H2,3H3;1-2H3/b8-7-;
InChIKeyIUAKJLSLEZGDPT-CFYXSCKTSA-N
MW192.31 g/mol
LogP3.72
Rot. Bonds5

About ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine

ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine (PubChem CID 156853431) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
PubChem CID156853431
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=CN(N=C)C(=C)/C=C\C(=C)C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-6-12(11-5)10(4)8-7-9(2)3;1-2/h6-8H,1-2,4-5H2,3H3;1-2H3/b8-7-;
InChIKeyIUAKJLSLEZGDPT-CFYXSCKTSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)-3H-pyrazole
CID 88988085
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
Methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
CID 123841124
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
N-[(2E)-2-(1-iodopropylidene)-1-pyridinyl]methanimine
CID 132124393
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
CID 139355968
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
CID 139397574
(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
CID 142875403
N-(5-ethenyl-1-methyl-2H-pyridin-4-yl)methanimine
CID 142886887

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine (CID 156853431) is ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine is C=CN(N=C)C(=C)/C=C\C(=C)C.CC.
What is the InChIKey of ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The InChIKey is IUAKJLSLEZGDPT-CFYXSCKTSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-6-12(11-5)10(4)8-7-9(2)3;1-2/h6-8H,1-2,4-5H2,3H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine has a molecular weight of 192.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethenyl-5-methyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 156853431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).