3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine

C11H19N — CID 130279705

IUPAC3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine
SMILESC=C=C(C)/C(C)=N/CC(C)CC
InChIInChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h9H,2,6,8H2,1,3-5H3/b12-11+
InChIKeyHTHDXKKEBSVBTE-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.22
Rot. Bonds4

About 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine

3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine (PubChem CID 130279705) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine
PubChem CID130279705
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine
SMILESC=C=C(C)/C(C)=N/CC(C)CC
InChIInChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h9H,2,6,8H2,1,3-5H3/b12-11+
InChIKeyHTHDXKKEBSVBTE-VAWYXSNFSA-N
XLogP3.22
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 ≤ 53.22
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 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine?
The IUPAC name of 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine (CID 130279705) is 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine.
What is the SMILES notation for 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine?
The canonical SMILES for 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine is C=C=C(C)/C(C)=N/CC(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine?
The InChIKey is HTHDXKKEBSVBTE-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h9H,2,6,8H2,1,3-5H3/b12-11+.
What are the key properties of 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine?
3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine is sourced from PubChem (CID 130279705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).