N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine

C9H15N — CID 144871850

IUPACN-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C(=C)C)C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(6-10-5)8(3)4/h6,8H,1,5H2,2-4H3/b9-6+
InChIKeyYXFQKDKPDKBSOB-RMKNXTFCSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine

N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine (PubChem CID 144871850) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine
PubChem CID144871850
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C(=C)C)C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(6-10-5)8(3)4/h6,8H,1,5H2,2-4H3/b9-6+
InChIKeyYXFQKDKPDKBSOB-RMKNXTFCSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-fluoro-2,3-dimethylpent-1-enyl]methanimine
CID 169603742
N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 178114617
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
4-(3-methylbut-1-en-2-yl)-3H-pyrrole
CID 59657424
(Z,3Z)-2,4-dimethyl-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89261719
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-(2-ethenyl-3-ethylpent-1-enyl)methanimine
CID 123606465
N-(2-ethenylpent-1-enyl)methanimine
CID 123940745
N-[(Z)-2,3-dimethylbut-1-enyl]methanimine
CID 129099752
N-[(E)-2,4-dimethylpent-1-enyl]ethanimine
CID 129210036
N-[(1Z,3Z)-2-methyl-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 130269458
N-[(E)-2,4-dimethyl-3-methylideneoct-1-enyl]methanimine
CID 131971023

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine (CID 144871850) is N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine is C=N/C=C(\C(=C)C)C(C)C.
What is the InChIKey of N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine?
The InChIKey is YXFQKDKPDKBSOB-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9(6-10-5)8(3)4/h6,8H,1,5H2,2-4H3/b9-6+.
What are the key properties of N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine?
N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine 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 N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).