2,3,3,8-tetramethylnon-7-en-4-imine

C13H25N — CID 142560293

IUPAC2,3,3,8-tetramethylnon-7-en-4-imine
SMILES[H]/N=C(\CCC=C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-7-9-12(14)13(5,6)11(3)4/h8,11,14H,7,9H2,1-6H3/b14-12+
InChIKeyDIDLKJFHOZMYCG-WYMLVPIESA-N
MW195.35 g/mol
LogP4.43
Rot. Bonds5

About 2,3,3,8-tetramethylnon-7-en-4-imine

2,3,3,8-tetramethylnon-7-en-4-imine (PubChem CID 142560293) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,3,3,8-tetramethylnon-7-en-4-imine.

Molecular Properties

Compound Name2,3,3,8-tetramethylnon-7-en-4-imine
PubChem CID142560293
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,3,3,8-tetramethylnon-7-en-4-imine
SMILES[H]/N=C(\CCC=C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-7-9-12(14)13(5,6)11(3)4/h8,11,14H,7,9H2,1-6H3/b14-12+
InChIKeyDIDLKJFHOZMYCG-WYMLVPIESA-N
XLogP4.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.43
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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033

Frequently Asked Questions

What is the IUPAC name of 2,3,3,8-tetramethylnon-7-en-4-imine?
The IUPAC name of 2,3,3,8-tetramethylnon-7-en-4-imine (CID 142560293) is 2,3,3,8-tetramethylnon-7-en-4-imine.
What is the SMILES notation for 2,3,3,8-tetramethylnon-7-en-4-imine?
The canonical SMILES for 2,3,3,8-tetramethylnon-7-en-4-imine is [H]/N=C(\CCC=C(C)C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,8-tetramethylnon-7-en-4-imine?
The InChIKey is DIDLKJFHOZMYCG-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)8-7-9-12(14)13(5,6)11(3)4/h8,11,14H,7,9H2,1-6H3/b14-12+.
What are the key properties of 2,3,3,8-tetramethylnon-7-en-4-imine?
2,3,3,8-tetramethylnon-7-en-4-imine has a molecular weight of 195.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,8-tetramethylnon-7-en-4-imine is sourced from PubChem (CID 142560293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).