1-imino-4-methylpent-2-en-3-amine;methane

C7H16N2 — CID 162135136

IUPAC1-imino-4-methylpent-2-en-3-amine;methane
SMILESC.[H]/N=C/C=C(N)C(C)C
InChIInChI=1S/C6H12N2.CH4/c1-5(2)6(8)3-4-7;/h3-5,7H,8H2,1-2H3;1H4/b6-3?,7-4+;
InChIKeyFNBJLBZVSGVONQ-LRPPZALDSA-N
MW128.22 g/mol
LogP1.77
Rot. Bonds2

About 1-imino-4-methylpent-2-en-3-amine;methane

1-imino-4-methylpent-2-en-3-amine;methane (PubChem CID 162135136) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-imino-4-methylpent-2-en-3-amine;methane.

Molecular Properties

Compound Name1-imino-4-methylpent-2-en-3-amine;methane
PubChem CID162135136
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-imino-4-methylpent-2-en-3-amine;methane
SMILESC.[H]/N=C/C=C(N)C(C)C
InChIInChI=1S/C6H12N2.CH4/c1-5(2)6(8)3-4-7;/h3-5,7H,8H2,1-2H3;1H4/b6-3?,7-4+;
InChIKeyFNBJLBZVSGVONQ-LRPPZALDSA-N
XLogP1.77
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.77
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

(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
CID 138552377
(E)-1-fluoroiminopent-2-en-2-amine
CID 173745510
1-(Difluoromethylimino)-4-methylpent-2-en-3-amine
CID 173798777
5-Fluoro-1-iminopent-2-en-3-amine
CID 173929513
1-(2-Fluoropropylimino)-4-methylpent-2-en-3-amine
CID 173933086
1-(2-Fluoro-3-methylbut-3-enyl)imino-4-methylpent-2-en-3-amine
CID 173933091
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine
CID 88997174
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(Z)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 118889253
(E)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 123200842
3-N-ethylidene-4-methylhex-2-ene-1,3-diimine
CID 123537731

Frequently Asked Questions

What is the IUPAC name of 1-imino-4-methylpent-2-en-3-amine;methane?
The IUPAC name of 1-imino-4-methylpent-2-en-3-amine;methane (CID 162135136) is 1-imino-4-methylpent-2-en-3-amine;methane.
What is the SMILES notation for 1-imino-4-methylpent-2-en-3-amine;methane?
The canonical SMILES for 1-imino-4-methylpent-2-en-3-amine;methane is C.[H]/N=C/C=C(N)C(C)C.
What is the InChIKey of 1-imino-4-methylpent-2-en-3-amine;methane?
The InChIKey is FNBJLBZVSGVONQ-LRPPZALDSA-N. The full InChI is InChI=1S/C6H12N2.CH4/c1-5(2)6(8)3-4-7;/h3-5,7H,8H2,1-2H3;1H4/b6-3?,7-4+;.
What are the key properties of 1-imino-4-methylpent-2-en-3-amine;methane?
1-imino-4-methylpent-2-en-3-amine;methane has a molecular weight of 128.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-methylpent-2-en-3-amine;methane is sourced from PubChem (CID 162135136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).