ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine

C12H20N2 — CID 142569943

IUPACethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
SMILESC=CC/C(C=C)=N/C=C(/C)N=C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-7-10(6-2)12-8-9(3)11-4;1-2/h5-6,8H,1-2,4,7H2,3H3;1-2H3/b9-8-,12-10+;
InChIKeyVIOVAQDOIBNYJH-ZTEDHSSBSA-N
MW192.31 g/mol
LogP3.78
Rot. Bonds5

About ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine

ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine (PubChem CID 142569943) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
PubChem CID142569943
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
SMILESC=CC/C(C=C)=N/C=C(/C)N=C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-7-10(6-2)12-8-9(3)11-4;1-2/h5-6,8H,1-2,4,7H2,3H3;1-2H3/b9-8-,12-10+;
InChIKeyVIOVAQDOIBNYJH-ZTEDHSSBSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313
N-[(Z)-but-1-enyl]butan-2-imine
CID 88931728
(E)-3-ethenylimino-N,N-dimethylpent-1-en-1-amine
CID 88939004

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine?
The IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine (CID 142569943) is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine.
What is the SMILES notation for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine?
The canonical SMILES for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine is C=CC/C(C=C)=N/C=C(/C)N=C.CC.
What is the InChIKey of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine?
The InChIKey is VIOVAQDOIBNYJH-ZTEDHSSBSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-5-7-10(6-2)12-8-9(3)11-4;1-2/h5-6,8H,1-2,4,7H2,3H3;1-2H3/b9-8-,12-10+;.
What are the key properties of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine?
ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-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 ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine is sourced from PubChem (CID 142569943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).