5,5-diethyl-2,2-dimethylheptan-3-imine

C13H27N — CID 14195661

IUPAC5,5-diethyl-2,2-dimethylheptan-3-imine
SMILES[H]/N=C(/CC(CC)(CC)CC)C(C)(C)C
InChIInChI=1S/C13H27N/c1-7-13(8-2,9-3)10-11(14)12(4,5)6/h14H,7-10H2,1-6H3/b14-11-
InChIKeyAUSYLMSKTPPVBU-KAMYIIQDSA-N
MW197.37 g/mol
LogP4.66
Rot. Bonds5

About 5,5-diethyl-2,2-dimethylheptan-3-imine

5,5-diethyl-2,2-dimethylheptan-3-imine (PubChem CID 14195661) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5,5-diethyl-2,2-dimethylheptan-3-imine.

Molecular Properties

Compound Name5,5-diethyl-2,2-dimethylheptan-3-imine
PubChem CID14195661
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5,5-diethyl-2,2-dimethylheptan-3-imine
SMILES[H]/N=C(/CC(CC)(CC)CC)C(C)(C)C
InChIInChI=1S/C13H27N/c1-7-13(8-2,9-3)10-11(14)12(4,5)6/h14H,7-10H2,1-6H3/b14-11-
InChIKeyAUSYLMSKTPPVBU-KAMYIIQDSA-N
XLogP4.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cycloheptanimine, 2,2,7,7-tetramethyl-
CID 534470
2,6-Dimethylheptan-4-imine
CID 333868
2,2,6,6-Tetramethylcyclohexan-1-imine
CID 13096255
3,3,7,7-Tetramethyl-1,2-cycloheptanediimine
CID 3475486
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-methylpentan-2-imine
CID 12754203
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245
1-(1,3,3,5-Tetramethylcyclohexyl)ethanimine
CID 20692070
2,2-Dimethylhexan-3-imine
CID 20702621

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2-dimethylheptan-3-imine?
The IUPAC name of 5,5-diethyl-2,2-dimethylheptan-3-imine (CID 14195661) is 5,5-diethyl-2,2-dimethylheptan-3-imine.
What is the SMILES notation for 5,5-diethyl-2,2-dimethylheptan-3-imine?
The canonical SMILES for 5,5-diethyl-2,2-dimethylheptan-3-imine is [H]/N=C(/CC(CC)(CC)CC)C(C)(C)C.
What is the InChIKey of 5,5-diethyl-2,2-dimethylheptan-3-imine?
The InChIKey is AUSYLMSKTPPVBU-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H27N/c1-7-13(8-2,9-3)10-11(14)12(4,5)6/h14H,7-10H2,1-6H3/b14-11-.
What are the key properties of 5,5-diethyl-2,2-dimethylheptan-3-imine?
5,5-diethyl-2,2-dimethylheptan-3-imine has a molecular weight of 197.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2-dimethylheptan-3-imine is sourced from PubChem (CID 14195661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).