8-methyl-7-propan-2-ylnonan-2-imine

C13H27N — CID 58164973

IUPAC8-methyl-7-propan-2-ylnonan-2-imine
SMILES[H]/N=C(\C)CCCCC(C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(11(3)4)9-7-6-8-12(5)14/h10-11,13-14H,6-9H2,1-5H3/b14-12+
InChIKeyQNEUXBGORHURGQ-WYMLVPIESA-N
MW197.37 g/mol
LogP4.51
Rot. Bonds7

About 8-methyl-7-propan-2-ylnonan-2-imine

8-methyl-7-propan-2-ylnonan-2-imine (PubChem CID 58164973) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 8-methyl-7-propan-2-ylnonan-2-imine.

Molecular Properties

Compound Name8-methyl-7-propan-2-ylnonan-2-imine
PubChem CID58164973
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name8-methyl-7-propan-2-ylnonan-2-imine
SMILES[H]/N=C(\C)CCCCC(C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(11(3)4)9-7-6-8-12(5)14/h10-11,13-14H,6-9H2,1-5H3/b14-12+
InChIKeyQNEUXBGORHURGQ-WYMLVPIESA-N
XLogP4.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-7-propan-2-ylnonan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-imino-2-methyloctanoic acid
CID 58165156
5,9-dimethylundecan-2-imine
CID 163570105
heptan-2-imine;propane;tungsten
CID 57359574
8-methylnon-8-en-2-imine
CID 163908836
N-(4-iminopentyl)-N-propan-2-ylhydroxylamine
CID 123990488
4-imino-N-methylpentan-1-amine
CID 146836527
3-iminobutan-1-ol
CID 54468047
3-imino-N-propan-2-ylbutan-1-amine
CID 176923530
4-imino-N,N-dimethylpentan-1-amine;uranium
CID 159962032
2-methyl-3-propan-2-yltetradecane
CID 154298453
4,11-diimino-N-methyldodecan-1-amine
CID 159770178
(1-chloro-8-methyl-2-oxo-7-propan-2-ylnonyl)phosphonic acid
CID 88619805

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-propan-2-ylnonan-2-imine?
The IUPAC name of 8-methyl-7-propan-2-ylnonan-2-imine (CID 58164973) is 8-methyl-7-propan-2-ylnonan-2-imine.
What is the SMILES notation for 8-methyl-7-propan-2-ylnonan-2-imine?
The canonical SMILES for 8-methyl-7-propan-2-ylnonan-2-imine is [H]/N=C(\C)CCCCC(C(C)C)C(C)C.
What is the InChIKey of 8-methyl-7-propan-2-ylnonan-2-imine?
The InChIKey is QNEUXBGORHURGQ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)13(11(3)4)9-7-6-8-12(5)14/h10-11,13-14H,6-9H2,1-5H3/b14-12+.
What are the key properties of 8-methyl-7-propan-2-ylnonan-2-imine?
8-methyl-7-propan-2-ylnonan-2-imine has a molecular weight of 197.37 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-propan-2-ylnonan-2-imine is sourced from PubChem (CID 58164973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).