N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine

C11H19N — CID 170069009

IUPACN-(2-cyclopropylprop-2-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/h8,11H,3,5-7H2,1-2,4H3/b12-10+
InChIKeyPZDRZJGEUAQPKT-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds4

About N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine

N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine (PubChem CID 170069009) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine
PubChem CID170069009
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-cyclopropylprop-2-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/h8,11H,3,5-7H2,1-2,4H3/b12-10+
InChIKeyPZDRZJGEUAQPKT-ZRDIBKRKSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine?
The IUPAC name of N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine (CID 170069009) is N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine.
What is the SMILES notation for N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine?
The canonical SMILES for N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine is C=C(C/N=C(\C)C(C)C)C1CC1.
What is the InChIKey of N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine?
The InChIKey is PZDRZJGEUAQPKT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10(4)12-7-9(3)11-5-6-11/h8,11H,3,5-7H2,1-2,4H3/b12-10+.
What are the key properties of N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine?
N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine is sourced from PubChem (CID 170069009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).