ethane;2-imino-3,4-dimethylpent-3-en-1-amine

C9H20N2 — CID 143462356

IUPACethane;2-imino-3,4-dimethylpent-3-en-1-amine
SMILESCC.[H]/N=C(\CN)C(C)=C(C)C
InChIInChI=1S/C7H14N2.C2H6/c1-5(2)6(3)7(9)4-8;1-2/h9H,4,8H2,1-3H3;1-2H3/b9-7+;
InChIKeyKGOKJYQWADFPJC-BXTVWIJMSA-N
MW156.27 g/mol
LogP2.35
Rot. Bonds2

About ethane;2-imino-3,4-dimethylpent-3-en-1-amine

ethane;2-imino-3,4-dimethylpent-3-en-1-amine (PubChem CID 143462356) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;2-imino-3,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Nameethane;2-imino-3,4-dimethylpent-3-en-1-amine
PubChem CID143462356
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;2-imino-3,4-dimethylpent-3-en-1-amine
SMILESCC.[H]/N=C(\CN)C(C)=C(C)C
InChIInChI=1S/C7H14N2.C2H6/c1-5(2)6(3)7(9)4-8;1-2/h9H,4,8H2,1-3H3;1-2H3/b9-7+;
InChIKeyKGOKJYQWADFPJC-BXTVWIJMSA-N
XLogP2.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethanimidoyl-3-phosphanylbut-2-en-1-amine
CID 124023036
(Z)-3-ethyl-5-imino-4-methylhex-3-en-2-amine
CID 139382959
3,4-Dimethylpent-3-en-2-imine;ethane
CID 143116875
(Z)-3,4-diethylhex-3-ene-2,5-diimine
CID 145074816
ethane;(E)-3-fluoro-4-methyl-2-methyliminohex-3-en-1-amine
CID 153350906
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
CID 170732037
(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine
CID 171626353
2-Imino-3,4-dimethylpent-3-en-1-amine
CID 143462357
2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
CID 170732038

Frequently Asked Questions

What is the IUPAC name of ethane;2-imino-3,4-dimethylpent-3-en-1-amine?
The IUPAC name of ethane;2-imino-3,4-dimethylpent-3-en-1-amine (CID 143462356) is ethane;2-imino-3,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for ethane;2-imino-3,4-dimethylpent-3-en-1-amine?
The canonical SMILES for ethane;2-imino-3,4-dimethylpent-3-en-1-amine is CC.[H]/N=C(\CN)C(C)=C(C)C.
What is the InChIKey of ethane;2-imino-3,4-dimethylpent-3-en-1-amine?
The InChIKey is KGOKJYQWADFPJC-BXTVWIJMSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-5(2)6(3)7(9)4-8;1-2/h9H,4,8H2,1-3H3;1-2H3/b9-7+;.
What are the key properties of ethane;2-imino-3,4-dimethylpent-3-en-1-amine?
ethane;2-imino-3,4-dimethylpent-3-en-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-imino-3,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 143462356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).