3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine

C9H15N — CID 91513493

IUPAC3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
SMILESC=C(C)/N=C/C(=C)C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6-7H,3,5H2,1-2,4H3/b10-6+
InChIKeyHJYWQEKSSGPCAI-UXBLZVDNSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine

3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine (PubChem CID 91513493) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
PubChem CID91513493
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
SMILESC=C(C)/N=C/C(=C)C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6-7H,3,5H2,1-2,4H3/b10-6+
InChIKeyHJYWQEKSSGPCAI-UXBLZVDNSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 87065362
3-methyl-2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 118058943
N-but-1-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 143072100
2-fluoro-N-(4-methylpent-1-en-2-yl)prop-2-en-1-imine
CID 177148678
2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
CID 88994507
2,3-dimethyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 89168263
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-(3-methylbut-1-en-2-yl)prop-2-en-1-imine
CID 90785604
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
(Z)-N-(3-methylbut-2-en-2-yl)-2-propan-2-ylbut-2-en-1-imine
CID 90926049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The IUPAC name of 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine (CID 91513493) is 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine.
What is the SMILES notation for 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The canonical SMILES for 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine is C=C(C)/N=C/C(=C)C(C)C.
What is the InChIKey of 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The InChIKey is HJYWQEKSSGPCAI-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6-7H,3,5H2,1-2,4H3/b10-6+.
What are the key properties of 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine is sourced from PubChem (CID 91513493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).