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

C12H23N — CID 142560268

IUPAC5-ethyl-2,3,3-trimethylhept-1-en-4-imine
SMILES[H]/N=C(\C(CC)CC)C(C)(C)C(=C)C
InChIInChI=1S/C12H23N/c1-7-10(8-2)11(13)12(5,6)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3/b13-11+
InChIKeyKDMOBGMVWWNLON-ACCUITESSA-N
MW181.32 g/mol
LogP4.04
Rot. Bonds5

About 5-ethyl-2,3,3-trimethylhept-1-en-4-imine

5-ethyl-2,3,3-trimethylhept-1-en-4-imine (PubChem CID 142560268) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-ethyl-2,3,3-trimethylhept-1-en-4-imine.

Molecular Properties

Compound Name5-ethyl-2,3,3-trimethylhept-1-en-4-imine
PubChem CID142560268
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-ethyl-2,3,3-trimethylhept-1-en-4-imine
SMILES[H]/N=C(\C(CC)CC)C(C)(C)C(=C)C
InChIInChI=1S/C12H23N/c1-7-10(8-2)11(13)12(5,6)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3/b13-11+
InChIKeyKDMOBGMVWWNLON-ACCUITESSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.04
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 5-ethyl-2,3,3-trimethylhept-1-en-4-imine?
The IUPAC name of 5-ethyl-2,3,3-trimethylhept-1-en-4-imine (CID 142560268) is 5-ethyl-2,3,3-trimethylhept-1-en-4-imine.
What is the SMILES notation for 5-ethyl-2,3,3-trimethylhept-1-en-4-imine?
The canonical SMILES for 5-ethyl-2,3,3-trimethylhept-1-en-4-imine is [H]/N=C(\C(CC)CC)C(C)(C)C(=C)C.
What is the InChIKey of 5-ethyl-2,3,3-trimethylhept-1-en-4-imine?
The InChIKey is KDMOBGMVWWNLON-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-7-10(8-2)11(13)12(5,6)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3/b13-11+.
What are the key properties of 5-ethyl-2,3,3-trimethylhept-1-en-4-imine?
5-ethyl-2,3,3-trimethylhept-1-en-4-imine has a molecular weight of 181.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,3-trimethylhept-1-en-4-imine is sourced from PubChem (CID 142560268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).