2,2,8,8-tetramethylnonan-5-imine

C13H27N — CID 158057616

IUPAC2,2,8,8-tetramethylnonan-5-imine
SMILES[H]N=C(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3
InChIKeyPNBZRWKYGJIORR-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.66
Rot. Bonds4

About 2,2,8,8-tetramethylnonan-5-imine

2,2,8,8-tetramethylnonan-5-imine (PubChem CID 158057616) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,2,8,8-tetramethylnonan-5-imine.

Molecular Properties

Compound Name2,2,8,8-tetramethylnonan-5-imine
PubChem CID158057616
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,2,8,8-tetramethylnonan-5-imine
SMILES[H]N=C(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3
InChIKeyPNBZRWKYGJIORR-UHFFFAOYSA-N
XLogP4.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethylnonan-5-imine?
The IUPAC name of 2,2,8,8-tetramethylnonan-5-imine (CID 158057616) is 2,2,8,8-tetramethylnonan-5-imine.
What is the SMILES notation for 2,2,8,8-tetramethylnonan-5-imine?
The canonical SMILES for 2,2,8,8-tetramethylnonan-5-imine is [H]N=C(CCC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of 2,2,8,8-tetramethylnonan-5-imine?
The InChIKey is PNBZRWKYGJIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3.
What are the key properties of 2,2,8,8-tetramethylnonan-5-imine?
2,2,8,8-tetramethylnonan-5-imine has a molecular weight of 197.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethylnonan-5-imine is sourced from PubChem (CID 158057616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).