2,3,3-trimethylhept-1-en-4-imine

C10H19N — CID 138580991

IUPAC2,3,3-trimethylhept-1-en-4-imine
SMILES[H]/N=C(\CCC)C(C)(C)C(=C)C
InChIInChI=1S/C10H19N/c1-6-7-9(11)10(4,5)8(2)3/h11H,2,6-7H2,1,3-5H3/b11-9+
InChIKeyJHOUOXPDBIKBGX-PKNBQFBNSA-N
MW153.27 g/mol
LogP3.41
Rot. Bonds4

About 2,3,3-trimethylhept-1-en-4-imine

2,3,3-trimethylhept-1-en-4-imine (PubChem CID 138580991) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3,3-trimethylhept-1-en-4-imine.

Molecular Properties

Compound Name2,3,3-trimethylhept-1-en-4-imine
PubChem CID138580991
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3,3-trimethylhept-1-en-4-imine
SMILES[H]/N=C(\CCC)C(C)(C)C(=C)C
InChIInChI=1S/C10H19N/c1-6-7-9(11)10(4,5)8(2)3/h11H,2,6-7H2,1,3-5H3/b11-9+
InChIKeyJHOUOXPDBIKBGX-PKNBQFBNSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
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 2,3,3-trimethylhept-1-en-4-imine?
The IUPAC name of 2,3,3-trimethylhept-1-en-4-imine (CID 138580991) is 2,3,3-trimethylhept-1-en-4-imine.
What is the SMILES notation for 2,3,3-trimethylhept-1-en-4-imine?
The canonical SMILES for 2,3,3-trimethylhept-1-en-4-imine is [H]/N=C(\CCC)C(C)(C)C(=C)C.
What is the InChIKey of 2,3,3-trimethylhept-1-en-4-imine?
The InChIKey is JHOUOXPDBIKBGX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-9(11)10(4,5)8(2)3/h11H,2,6-7H2,1,3-5H3/b11-9+.
What are the key properties of 2,3,3-trimethylhept-1-en-4-imine?
2,3,3-trimethylhept-1-en-4-imine has a molecular weight of 153.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylhept-1-en-4-imine is sourced from PubChem (CID 138580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).