N-(2-methylbut-1-enyl)propan-2-imine

C8H15N — CID 91106736

IUPACN-(2-methylbut-1-enyl)propan-2-imine
SMILESCCC(C)=CN=C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)6-9-7(2)3/h6H,5H2,1-4H3
InChIKeyAFLUGTUMVUGXNM-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds2

About N-(2-methylbut-1-enyl)propan-2-imine

N-(2-methylbut-1-enyl)propan-2-imine (PubChem CID 91106736) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(2-methylbut-1-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(2-methylbut-1-enyl)propan-2-imine
PubChem CID91106736
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(2-methylbut-1-enyl)propan-2-imine
SMILESCCC(C)=CN=C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)6-9-7(2)3/h6H,5H2,1-4H3
InChIKeyAFLUGTUMVUGXNM-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
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

N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
CID 143494963
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
N-[(E)-3-fluoro-2-methylbut-1-enyl]but-3-en-2-imine
CID 166991045
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
2,4-dimethyl-3H-pyrrole
CID 21136127
CID 58757171
CID 58757171
2,3-Dimethylazete
CID 70100175
N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900845
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
3-methyl-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 89188301

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-1-enyl)propan-2-imine?
The IUPAC name of N-(2-methylbut-1-enyl)propan-2-imine (CID 91106736) is N-(2-methylbut-1-enyl)propan-2-imine.
What is the SMILES notation for N-(2-methylbut-1-enyl)propan-2-imine?
The canonical SMILES for N-(2-methylbut-1-enyl)propan-2-imine is CCC(C)=CN=C(C)C.
What is the InChIKey of N-(2-methylbut-1-enyl)propan-2-imine?
The InChIKey is AFLUGTUMVUGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-8(4)6-9-7(2)3/h6H,5H2,1-4H3.
What are the key properties of N-(2-methylbut-1-enyl)propan-2-imine?
N-(2-methylbut-1-enyl)propan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-1-enyl)propan-2-imine is sourced from PubChem (CID 91106736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).