N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine

C10H15N — CID 166662001

IUPACN-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC(=C)C(=C)C
InChIInChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6H,1-2,4,7H2,3,5H3/b11-10+
InChIKeyVMIIGCDYDIDIBH-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.77
Rot. Bonds4

About N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine

N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine (PubChem CID 166662001) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine
PubChem CID166662001
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC(=C)C(=C)C
InChIInChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6H,1-2,4,7H2,3,5H3/b11-10+
InChIKeyVMIIGCDYDIDIBH-ZHACJKMWSA-N
XLogP2.77
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 ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine?
The IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine (CID 166662001) is N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine.
What is the SMILES notation for N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine?
The canonical SMILES for N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine is C=C/C(C)=N/CC(=C)C(=C)C.
What is the InChIKey of N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine?
The InChIKey is VMIIGCDYDIDIBH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-6-10(5)11-7-9(4)8(2)3/h6H,1-2,4,7H2,3,5H3/b11-10+.
What are the key properties of N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine?
N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenebut-3-enyl)but-3-en-2-imine is sourced from PubChem (CID 166662001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).