4,4,6-trimethylhept-1-en-3-imine

C10H19N — CID 177141696

IUPAC4,4,6-trimethylhept-1-en-3-imine
SMILES[H]/N=C(\C=C)C(C)(C)CC(C)C
InChIInChI=1S/C10H19N/c1-6-9(11)10(4,5)7-8(2)3/h6,8,11H,1,7H2,2-5H3/b11-9+
InChIKeyMYBDVOPFLPODPJ-PKNBQFBNSA-N
MW153.27 g/mol
LogP3.26
Rot. Bonds4

About 4,4,6-trimethylhept-1-en-3-imine

4,4,6-trimethylhept-1-en-3-imine (PubChem CID 177141696) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4,4,6-trimethylhept-1-en-3-imine.

Molecular Properties

Compound Name4,4,6-trimethylhept-1-en-3-imine
PubChem CID177141696
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4,4,6-trimethylhept-1-en-3-imine
SMILES[H]/N=C(\C=C)C(C)(C)CC(C)C
InChIInChI=1S/C10H19N/c1-6-9(11)10(4,5)7-8(2)3/h6,8,11H,1,7H2,2-5H3/b11-9+
InChIKeyMYBDVOPFLPODPJ-PKNBQFBNSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 4,4,6-trimethylhept-1-en-3-imine?
The IUPAC name of 4,4,6-trimethylhept-1-en-3-imine (CID 177141696) is 4,4,6-trimethylhept-1-en-3-imine.
What is the SMILES notation for 4,4,6-trimethylhept-1-en-3-imine?
The canonical SMILES for 4,4,6-trimethylhept-1-en-3-imine is [H]/N=C(\C=C)C(C)(C)CC(C)C.
What is the InChIKey of 4,4,6-trimethylhept-1-en-3-imine?
The InChIKey is MYBDVOPFLPODPJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N/c1-6-9(11)10(4,5)7-8(2)3/h6,8,11H,1,7H2,2-5H3/b11-9+.
What are the key properties of 4,4,6-trimethylhept-1-en-3-imine?
4,4,6-trimethylhept-1-en-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethylhept-1-en-3-imine is sourced from PubChem (CID 177141696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).