N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine

C15H25N — CID 138567903

IUPACN-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)/C(C)=C(\C)CC
InChIInChI=1S/C15H25N/c1-8-11(4)12(5)14(9-2)13(6)15(14,10-3)16-7/h6-10H2,1-5H3/b12-11+
InChIKeyYNWUWBOPUPUPTH-VAWYXSNFSA-N
MW219.37 g/mol
LogP4.55
Rot. Bonds5

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

N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine (PubChem CID 138567903) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine
PubChem CID138567903
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)/C(C)=C(\C)CC
InChIInChI=1S/C15H25N/c1-8-11(4)12(5)14(9-2)13(6)15(14,10-3)16-7/h6-10H2,1-5H3/b12-11+
InChIKeyYNWUWBOPUPUPTH-VAWYXSNFSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.55
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-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine?
The IUPAC name of N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine (CID 138567903) is N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine.
What is the SMILES notation for N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine?
The canonical SMILES for N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine is C=NC1(CC)C(=C)C1(CC)/C(C)=C(\C)CC.
What is the InChIKey of N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine?
The InChIKey is YNWUWBOPUPUPTH-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H25N/c1-8-11(4)12(5)14(9-2)13(6)15(14,10-3)16-7/h6-10H2,1-5H3/b12-11+.
What are the key properties of N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine?
N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine has a molecular weight of 219.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine is sourced from PubChem (CID 138567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).