2,3,3,5-tetramethylhept-1-en-4-imine

C11H21N — CID 138580897

IUPAC2,3,3,5-tetramethylhept-1-en-4-imine
SMILES[H]/N=C(\C(C)CC)C(C)(C)C(=C)C
InChIInChI=1S/C11H21N/c1-7-9(4)10(12)11(5,6)8(2)3/h9,12H,2,7H2,1,3-6H3/b12-10+
InChIKeyFCDIWNLSHARKIN-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.65
Rot. Bonds4

About 2,3,3,5-tetramethylhept-1-en-4-imine

2,3,3,5-tetramethylhept-1-en-4-imine (PubChem CID 138580897) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,3,3,5-tetramethylhept-1-en-4-imine.

Molecular Properties

Compound Name2,3,3,5-tetramethylhept-1-en-4-imine
PubChem CID138580897
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,3,3,5-tetramethylhept-1-en-4-imine
SMILES[H]/N=C(\C(C)CC)C(C)(C)C(=C)C
InChIInChI=1S/C11H21N/c1-7-9(4)10(12)11(5,6)8(2)3/h9,12H,2,7H2,1,3-6H3/b12-10+
InChIKeyFCDIWNLSHARKIN-ZRDIBKRKSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.65
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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Related Compounds

(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
2,2,3,4,5-Pentamethylcyclopent-3-en-1-imine
CID 90908321
2,5-Dimethylhept-1-en-3-imine
CID 91222633
(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625
3,6-Diethyl-3,6-dimethyl-5-methylideneoctan-4-imine
CID 123178237
4,4,9-Trimethyl-13-prop-1-en-2-yl-9-propylhexadec-11-yn-2-imine
CID 123178243
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
6-Methyl-7-methylidenecycloundecan-1-imine
CID 123369621
3,3,5,5,6-Pentamethylhept-6-en-2-imine
CID 123379673

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethylhept-1-en-4-imine?
The IUPAC name of 2,3,3,5-tetramethylhept-1-en-4-imine (CID 138580897) is 2,3,3,5-tetramethylhept-1-en-4-imine.
What is the SMILES notation for 2,3,3,5-tetramethylhept-1-en-4-imine?
The canonical SMILES for 2,3,3,5-tetramethylhept-1-en-4-imine is [H]/N=C(\C(C)CC)C(C)(C)C(=C)C.
What is the InChIKey of 2,3,3,5-tetramethylhept-1-en-4-imine?
The InChIKey is FCDIWNLSHARKIN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-7-9(4)10(12)11(5,6)8(2)3/h9,12H,2,7H2,1,3-6H3/b12-10+.
What are the key properties of 2,3,3,5-tetramethylhept-1-en-4-imine?
2,3,3,5-tetramethylhept-1-en-4-imine has a molecular weight of 167.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethylhept-1-en-4-imine is sourced from PubChem (CID 138580897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).