2,6-dimethylnonan-3-imine

C11H23N — CID 146181294

IUPAC2,6-dimethylnonan-3-imine
SMILES[H]/N=C(\CCC(C)CCC)C(C)C
InChIInChI=1S/C11H23N/c1-5-6-10(4)7-8-11(12)9(2)3/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyKRHYVAYKVQALEJ-VAWYXSNFSA-N
MW169.31 g/mol
LogP3.88
Rot. Bonds6

About 2,6-dimethylnonan-3-imine

2,6-dimethylnonan-3-imine (PubChem CID 146181294) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,6-dimethylnonan-3-imine.

Molecular Properties

Compound Name2,6-dimethylnonan-3-imine
PubChem CID146181294
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,6-dimethylnonan-3-imine
SMILES[H]/N=C(\CCC(C)CCC)C(C)C
InChIInChI=1S/C11H23N/c1-5-6-10(4)7-8-11(12)9(2)3/h9-10,12H,5-8H2,1-4H3/b12-11+
InChIKeyKRHYVAYKVQALEJ-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-methyloctanimidamide
CID 54213893
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptan-3-imine
CID 149092868
4-methylheptane;propane
CID 142171269
5-methyloct-1-en-3-imine
CID 163230463
5-methylhexane-1,4-diimine
CID 156550679
4-methylheptanoyl chloride
CID 14234515
(6R)-6-methylnonan-3-one
CID 11805013
acetylene;4-methylheptane
CID 143164229
2-hydroxy-6-methylnonan-3-one
CID 123192108

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnonan-3-imine?
The IUPAC name of 2,6-dimethylnonan-3-imine (CID 146181294) is 2,6-dimethylnonan-3-imine.
What is the SMILES notation for 2,6-dimethylnonan-3-imine?
The canonical SMILES for 2,6-dimethylnonan-3-imine is [H]/N=C(\CCC(C)CCC)C(C)C.
What is the InChIKey of 2,6-dimethylnonan-3-imine?
The InChIKey is KRHYVAYKVQALEJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-10(4)7-8-11(12)9(2)3/h9-10,12H,5-8H2,1-4H3/b12-11+.
What are the key properties of 2,6-dimethylnonan-3-imine?
2,6-dimethylnonan-3-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 2,6-dimethylnonan-3-imine is sourced from PubChem (CID 146181294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).