N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine

C11H19N — CID 130194899

IUPACN-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)C1CC1
InChIInChI=1S/C11H19N/c1-8(2)10(4)12-7-9(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+,12-10+
InChIKeyLHEDXOOKENVJPD-LKJUMTHSSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds3

About N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine

N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine (PubChem CID 130194899) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine
PubChem CID130194899
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)C1CC1
InChIInChI=1S/C11H19N/c1-8(2)10(4)12-7-9(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+,12-10+
InChIKeyLHEDXOOKENVJPD-LKJUMTHSSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine?
The IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine (CID 130194899) is N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine is C/C(=C\N=C(/C)C(C)C)C1CC1.
What is the InChIKey of N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine?
The InChIKey is LHEDXOOKENVJPD-LKJUMTHSSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10(4)12-7-9(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+,12-10+.
What are the key properties of N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine?
N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine is sourced from PubChem (CID 130194899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).