4,7-dimethylnonan-2-imine

C11H23N — CID 123346808

IUPAC4,7-dimethylnonan-2-imine
SMILES[H]/N=C(\C)CC(C)CCC(C)CC
InChIInChI=1S/C11H23N/c1-5-9(2)6-7-10(3)8-11(4)12/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyODUCIWOOVVAEHG-VAWYXSNFSA-N
MW169.31 g/mol
LogP3.88
Rot. Bonds6

About 4,7-dimethylnonan-2-imine

4,7-dimethylnonan-2-imine (PubChem CID 123346808) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4,7-dimethylnonan-2-imine.

Molecular Properties

Compound Name4,7-dimethylnonan-2-imine
PubChem CID123346808
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4,7-dimethylnonan-2-imine
SMILES[H]/N=C(\C)CC(C)CCC(C)CC
InChIInChI=1S/C11H23N/c1-5-9(2)6-7-10(3)8-11(4)12/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyODUCIWOOVVAEHG-VAWYXSNFSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.88
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

4-methylheptan-2-imine
CID 90831955
5,9-dimethylundecan-2-imine
CID 163570105
4,7-dimethylnonan-2-one
CID 87291820
4,5,6-trimethyloctan-2-imine
CID 123170973
4-imino-N,N-dimethylpentan-2-amine
CID 163674101
4-methylhept-6-en-2-imine
CID 123395995
methyl 4-methylhexanimidate
CID 57248628
2,3,6-trimethyloctan-4-imine
CID 123559173
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
ethane;3-methylheptane;propan-2-imine
CID 142132474
[(2R)-2-methylbutyl] carbamimidothioate
CID 3084888
ethane;3,6,7,10-tetramethyldodecane
CID 143901344

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylnonan-2-imine?
The IUPAC name of 4,7-dimethylnonan-2-imine (CID 123346808) is 4,7-dimethylnonan-2-imine.
What is the SMILES notation for 4,7-dimethylnonan-2-imine?
The canonical SMILES for 4,7-dimethylnonan-2-imine is [H]/N=C(\C)CC(C)CCC(C)CC.
What is the InChIKey of 4,7-dimethylnonan-2-imine?
The InChIKey is ODUCIWOOVVAEHG-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N/c1-5-9(2)6-7-10(3)8-11(4)12/h9-10,12H,5-8H2,1-4H3/b12-11+.
What are the key properties of 4,7-dimethylnonan-2-imine?
4,7-dimethylnonan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylnonan-2-imine is sourced from PubChem (CID 123346808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).