N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine

C10H15N — CID 91579583

IUPACN-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine
SMILESC=CC(=C)/N=C\C(=C)C(C)C
InChIInChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6-8H,1,4-5H2,2-3H3/b11-7+
InChIKeyVSFMCXMNZWKPFM-YRNVUSSQSA-N
MW149.24 g/mol
LogP2.97
Rot. Bonds4

About N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine

N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine (PubChem CID 91579583) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine
PubChem CID91579583
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine
SMILESC=CC(=C)/N=C\C(=C)C(C)C
InChIInChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6-8H,1,4-5H2,2-3H3/b11-7+
InChIKeyVSFMCXMNZWKPFM-YRNVUSSQSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethenyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 88886118
(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 90070795
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
CID 90734347
N-(3-methylbut-1-en-2-yl)prop-2-en-1-imine
CID 90785604
2-methylidene-N-(2-methylpropyl)but-3-en-1-imine
CID 90837493
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
CID 90998038
2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91031927
N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91047286
N-buta-1,3-dien-2-yl-2-methylpropan-1-imine
CID 91254329
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91513493
(Z)-N-[(3E)-3-methylpenta-1,3-dien-2-yl]but-2-en-1-imine
CID 117656645

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine?
The IUPAC name of N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine (CID 91579583) is N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine?
The canonical SMILES for N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine is C=CC(=C)/N=C\C(=C)C(C)C.
What is the InChIKey of N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine?
The InChIKey is VSFMCXMNZWKPFM-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6-8H,1,4-5H2,2-3H3/b11-7+.
What are the key properties of N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine?
N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-3-methyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 91579583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).