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

C7H14N2 — CID 143462357

IUPAC2-imino-3,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C(\CN)C(C)=C(C)C
InChIInChI=1S/C7H14N2/c1-5(2)6(3)7(9)4-8/h9H,4,8H2,1-3H3/b9-7+
InChIKeyNSCNWFCHTNGVGM-VQHVLOKHSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds2

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

2-imino-3,4-dimethylpent-3-en-1-amine (PubChem CID 143462357) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-imino-3,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name2-imino-3,4-dimethylpent-3-en-1-amine
PubChem CID143462357
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-imino-3,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C(\CN)C(C)=C(C)C
InChIInChI=1S/C7H14N2/c1-5(2)6(3)7(9)4-8/h9H,4,8H2,1-3H3/b9-7+
InChIKeyNSCNWFCHTNGVGM-VQHVLOKHSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
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

(4,5-dimethyl-2H-pyrrol-3-yl)methanamine
CID 23559255
3,4-Dimethylpent-3-en-2-imine
CID 91089455
2-Ethanimidoyl-3-phosphanylbut-2-en-1-amine
CID 124023036
(Z)-2,3-dimethylpent-2-ene-1,4-diimine
CID 138494929
(Z)-3-ethyl-5-imino-4-methylhex-3-en-2-amine
CID 139382959
Ethane;2-imino-3,4-dimethylpent-3-en-1-amine
CID 143462356
(Z)-2-(C,N-dimethylcarbonimidoyl)but-2-ene-1,3-diamine
CID 143502161
(Z)-3-ethanimidoylpent-3-ene-1,4-diamine
CID 144314570
(5-Methyl-2,3-dihydropyridin-6-yl)methanamine
CID 145066357
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
2-Imino-3-methylbut-3-en-1-amine
CID 173470873
3,4-Dimethylpent-3-ene-1,2-diimine
CID 169195897

Frequently Asked Questions

What is the IUPAC name of 2-imino-3,4-dimethylpent-3-en-1-amine?
The IUPAC name of 2-imino-3,4-dimethylpent-3-en-1-amine (CID 143462357) is 2-imino-3,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 2-imino-3,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 2-imino-3,4-dimethylpent-3-en-1-amine is [H]/N=C(\CN)C(C)=C(C)C.
What is the InChIKey of 2-imino-3,4-dimethylpent-3-en-1-amine?
The InChIKey is NSCNWFCHTNGVGM-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-5(2)6(3)7(9)4-8/h9H,4,8H2,1-3H3/b9-7+.
What are the key properties of 2-imino-3,4-dimethylpent-3-en-1-amine?
2-imino-3,4-dimethylpent-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 143462357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).