ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide

C9H18N2 — CID 176556935

IUPACethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide
SMILESCC.[H]/N=C/N=C/C(C)=C\CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-7(2)5-9-6-8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b7-4-,8-6+,9-5+;
InChIKeyBOYQOOBUJXGQLV-MYPUUHEZSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds3

About ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide

ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide (PubChem CID 176556935) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide
PubChem CID176556935
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide
SMILESCC.[H]/N=C/N=C/C(C)=C\CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-7(2)5-9-6-8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b7-4-,8-6+,9-5+;
InChIKeyBOYQOOBUJXGQLV-MYPUUHEZSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-Ethylpyridine-2,3-diimine
CID 68028389
N-[(Z)-2-methylbut-2-enylidene]methanimidamide
CID 89661481
N-[(Z)-2,4-dimethylpent-2-enylidene]methanimidamide
CID 126635836
N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
CID 130346551
N-[(2Z)-2-but-3-enylidenehept-3-ynylidene]ethanimidamide
CID 131982542
N'-methyl-N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
CID 132011678
N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide
CID 134463859
(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine
CID 138466466
N-[(Z)-3,4-dimethylpent-2-enylidene]methanimidamide
CID 142076309
N-[(Z)-2-methylpent-2-enylidene]methanimidamide
CID 142076313
N-[(Z)-3-methylpent-2-enylidene]methanimidamide
CID 142076324
ethane;(Z)-2-methylpent-2-en-1-imine
CID 142150503

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The IUPAC name of ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide (CID 176556935) is ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide.
What is the SMILES notation for ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The canonical SMILES for ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide is CC.[H]/N=C/N=C/C(C)=C\CC.
What is the InChIKey of ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The InChIKey is BOYQOOBUJXGQLV-MYPUUHEZSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-4-7(2)5-9-6-8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b7-4-,8-6+,9-5+;.
What are the key properties of ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide is sourced from PubChem (CID 176556935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).