N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine

C13H23N — CID 138567796

IUPACN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine
SMILESC=NC1(CC)CC1(CC)C(C)=C(C)C
InChIInChI=1S/C13H23N/c1-7-12(11(5)10(3)4)9-13(12,8-2)14-6/h6-9H2,1-5H3
InChIKeyLJGSQWFXLOFVOO-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds4

About N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine

N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine (PubChem CID 138567796) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine
PubChem CID138567796
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine
SMILESC=NC1(CC)CC1(CC)C(C)=C(C)C
InChIInChI=1S/C13H23N/c1-7-12(11(5)10(3)4)9-13(12,8-2)14-6/h6-9H2,1-5H3
InChIKeyLJGSQWFXLOFVOO-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
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-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine?
The IUPAC name of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine (CID 138567796) is N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine.
What is the SMILES notation for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine?
The canonical SMILES for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine is C=NC1(CC)CC1(CC)C(C)=C(C)C.
What is the InChIKey of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine?
The InChIKey is LJGSQWFXLOFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-7-12(11(5)10(3)4)9-13(12,8-2)14-6/h6-9H2,1-5H3.
What are the key properties of N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine?
N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine is sourced from PubChem (CID 138567796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).