3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine

C11H20N2 — CID 129168703

IUPAC3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
SMILESC=N/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10(5)13-11(7-12-6)9(3)4/h7-9H,6H2,1-5H3/b11-7-,13-10+
InChIKeyFCMNWEQYJGZNRJ-IHUNODJRSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds4

About 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine

3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine (PubChem CID 129168703) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
PubChem CID129168703
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
SMILESC=N/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10(5)13-11(7-12-6)9(3)4/h7-9H,6H2,1-5H3/b11-7-,13-10+
InChIKeyFCMNWEQYJGZNRJ-IHUNODJRSA-N
XLogP3.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
CID 167248501
(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
CID 143969033
S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine
CID 89298015
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
3-[(E)-2-fluoro-2-(methylideneamino)ethenyl]iminobutan-2-amine
CID 166870981
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283
3-methyl-N-[(2E,4S,6E)-4-methylocta-2,6-dien-2-yl]butan-2-imine
CID 143912731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine (CID 129168703) is 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine is C=N/C=C(\N=C(/C)C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine?
The InChIKey is FCMNWEQYJGZNRJ-IHUNODJRSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10(5)13-11(7-12-6)9(3)4/h7-9H,6H2,1-5H3/b11-7-,13-10+.
What are the key properties of 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine?
3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine has a molecular weight of 180.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine is sourced from PubChem (CID 129168703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).