(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine

C13H23N — CID 90880737

IUPAC(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
SMILES[H]/N=C(C(\C)=C/C=C)/C(C)CC(C)(C)C
InChIInChI=1S/C13H23N/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h7-8,11,14H,1,9H2,2-6H3/b10-8-,14-12+
InChIKeyYSORCPKXHSGNMN-FUPPWZCUSA-N
MW193.33 g/mol
LogP4.21
Rot. Bonds4

About (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine

(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine (PubChem CID 90880737) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine.

Molecular Properties

Compound Name(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
PubChem CID90880737
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
SMILES[H]/N=C(C(\C)=C/C=C)/C(C)CC(C)(C)C
InChIInChI=1S/C13H23N/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h7-8,11,14H,1,9H2,2-6H3/b10-8-,14-12+
InChIKeyYSORCPKXHSGNMN-FUPPWZCUSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine;iron(2+);dichloride
CID 68952498
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine?
The IUPAC name of (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine (CID 90880737) is (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine.
What is the SMILES notation for (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine?
The canonical SMILES for (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine is [H]/N=C(C(\C)=C/C=C)/C(C)CC(C)(C)C.
What is the InChIKey of (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine?
The InChIKey is YSORCPKXHSGNMN-FUPPWZCUSA-N. The full InChI is InChI=1S/C13H23N/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h7-8,11,14H,1,9H2,2-6H3/b10-8-,14-12+.
What are the key properties of (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine?
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine has a molecular weight of 193.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine is sourced from PubChem (CID 90880737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).