ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine

C9H18N2 — CID 143422496

IUPACethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
SMILESCC.[H]/N=C/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2.C2H6/c1-7(2)3-5-9-6-4-8;1-2/h3-8H,1-2H3;1-2H3/b5-3-,8-4+,9-6+;
InChIKeyBYKOYZAKEROFCN-XNUULTQYSA-N
MW154.26 g/mol
LogP2.90
Rot. Bonds3

About ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine

ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine (PubChem CID 143422496) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound Nameethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
PubChem CID143422496
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
SMILESCC.[H]/N=C/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2.C2H6/c1-7(2)3-5-9-6-4-8;1-2/h3-8H,1-2H3;1-2H3/b5-3-,8-4+,9-6+;
InChIKeyBYKOYZAKEROFCN-XNUULTQYSA-N
XLogP2.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
N-[(1Z)-3-methylpenta-1,4-dienyl]prop-2-en-1-imine
CID 89138641
(Z)-3-methyl-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 89145511
N-[(Z)-3-methylbut-1-enyl]ethanimine
CID 89175542
N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 89195550
(E)-4-(ethylideneamino)but-3-en-1-amine
CID 89257831
(Z)-3-(3-methylbut-1-en-2-ylimino)prop-1-en-1-amine
CID 89410300

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The IUPAC name of ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine (CID 143422496) is ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The canonical SMILES for ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine is CC.[H]/N=C/C=N/C=C\C(C)C.
What is the InChIKey of ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
The InChIKey is BYKOYZAKEROFCN-XNUULTQYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-7(2)3-5-9-6-4-8;1-2/h3-8H,1-2H3;1-2H3/b5-3-,8-4+,9-6+;.
What are the key properties of ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine?
ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 143422496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).