N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine

C9H15N — CID 142311026

IUPACN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)/C(C)=C\N=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6H,1H2,2-5H3/b9-6-
InChIKeyGGNLDJKTLYGISN-TWGQIWQCSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds2

About N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine

N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine (PubChem CID 142311026) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine
PubChem CID142311026
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)/C(C)=C\N=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6H,1H2,2-5H3/b9-6-
InChIKeyGGNLDJKTLYGISN-TWGQIWQCSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
2-Methyl-N-(1-methylethylidene)-1-propen-1-amine
CID 20436138
1,1,1-trifluoro-N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 143508841
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
CID 168972313
N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900845
2,3,6-Trimethyl-1-azacyclohepta-1,3,4,6-tetraene
CID 89271815
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
N-(2-methylprop-1-enyl)but-3-en-2-imine
CID 90260501
N-(2-methylprop-1-enyl)butan-2-imine
CID 90916248
N-(2-methylbut-1-enyl)propan-2-imine
CID 91106736
N-(3-methylbut-3-en-2-yl)propan-2-imine
CID 91540454

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine (CID 142311026) is N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine is C=C(C)/C(C)=C\N=C(C)C.
What is the InChIKey of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine?
The InChIKey is GGNLDJKTLYGISN-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9(5)6-10-8(3)4/h6H,1H2,2-5H3/b9-6-.
What are the key properties of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine?
N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 142311026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).