2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine

C11H19N — CID 130433837

IUPAC2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine
SMILESCC=C/C(C=C(C)C)=N\C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(8-9(2)3)12-10(4)5/h6-8,10H,1-5H3/b7-6?,12-11+
InChIKeyAWACDNFQQHGWPV-MBYXZZKVSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds3

About 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine

2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine (PubChem CID 130433837) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine
PubChem CID130433837
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine
SMILESCC=C/C(C=C(C)C)=N\C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(8-9(2)3)12-10(4)5/h6-8,10H,1-5H3/b7-6?,12-11+
InChIKeyAWACDNFQQHGWPV-MBYXZZKVSA-N
XLogP3.38
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 ≤ 53.38
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 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine?
The IUPAC name of 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine (CID 130433837) is 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine.
What is the SMILES notation for 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine?
The canonical SMILES for 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine is CC=C/C(C=C(C)C)=N\C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine?
The InChIKey is AWACDNFQQHGWPV-MBYXZZKVSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-11(8-9(2)3)12-10(4)5/h6-8,10H,1-5H3/b7-6?,12-11+.
What are the key properties of 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine?
2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine is sourced from PubChem (CID 130433837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).