butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine

C12H20N2 — CID 91068178

IUPACbutane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(=C)/C=N/N=C.CCCC
InChIInChI=1S/C8H10N2.C4H10/c1-4-5-6-8(2)7-10-9-3;1-3-4-2/h4-7H,1-3H2;3-4H2,1-2H3/b6-5-,10-7-;
InChIKeyAXUZHWGHUQVGKQ-LNWSVNOOSA-N
MW192.31 g/mol
LogP3.78
Rot. Bonds5

About butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine

butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine (PubChem CID 91068178) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine.

Molecular Properties

Compound Namebutane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
PubChem CID91068178
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Namebutane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(=C)/C=N/N=C.CCCC
InChIInChI=1S/C8H10N2.C4H10/c1-4-5-6-8(2)7-10-9-3;1-3-4-2/h4-7H,1-3H2;3-4H2,1-2H3/b6-5-,10-7-;
InChIKeyAXUZHWGHUQVGKQ-LNWSVNOOSA-N
XLogP3.78
TPSA24.72 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 ≤ 53.78
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

(E,2E,3Z)-4-ethyl-N-(methylideneamino)-2-(2,2,2-trifluoroethylidene)hexa-3,5-dien-1-imine
CID 134444981
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 166669652
Dimethyltetraaza[14]annulene
CID 129670590
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine
CID 12744271
(E,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
CID 57663871
(NE)-N-[(2E,4E,6E,8E)-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene]hydroxylamine
CID 60138459
(2E,4E,6E,8E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 60138494
(2E,4E)-N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 60138499
5-[(Z)-but-1-enyl]-2,3-dihydropyridine
CID 68208469
N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 72660199

Frequently Asked Questions

What is the IUPAC name of butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The IUPAC name of butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine (CID 91068178) is butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine.
What is the SMILES notation for butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The canonical SMILES for butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine is C=C/C=C\C(=C)/C=N/N=C.CCCC.
What is the InChIKey of butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The InChIKey is AXUZHWGHUQVGKQ-LNWSVNOOSA-N. The full InChI is InChI=1S/C8H10N2.C4H10/c1-4-5-6-8(2)7-10-9-3;1-3-4-2/h4-7H,1-3H2;3-4H2,1-2H3/b6-5-,10-7-;.
What are the key properties of butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine has a molecular weight of 192.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine is sourced from PubChem (CID 91068178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).