N,3-dimethylhexan-2-imine

C8H17N — CID 123371156

IUPACN,3-dimethylhexan-2-imine
SMILESCCCC(C)/C(C)=N/C
InChIInChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h7H,5-6H2,1-4H3/b9-8+
InChIKeyYNFMETAIGLUEOA-CMDGGOBGSA-N
MW127.23 g/mol
LogP2.51
Rot. Bonds3

About N,3-dimethylhexan-2-imine

N,3-dimethylhexan-2-imine (PubChem CID 123371156) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,3-dimethylhexan-2-imine.

Molecular Properties

Compound NameN,3-dimethylhexan-2-imine
PubChem CID123371156
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,3-dimethylhexan-2-imine
SMILESCCCC(C)/C(C)=N/C
InChIInChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h7H,5-6H2,1-4H3/b9-8+
InChIKeyYNFMETAIGLUEOA-CMDGGOBGSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyliminohexane-3-sulfonamide
CID 123664904
(6S)-4,6-dimethylnonan-5-one
CID 177467625
2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine
CID 146512903
(3S)-3-methylhexan-2-imine
CID 149359557
N,5-dimethyl-4-propyloctan-2-imine
CID 123171277
N-(3,5-dimethyloctan-4-ylidene)hydroxylamine
CID 178171758
N,2,4-trimethyloct-1-en-3-imine
CID 123513691
(4R)-4-methylheptan-3-one
CID 12696684
(2R)-2-methylpentanoyl chloride
CID 7160703
(4R)-2,4-dimethylheptan-3-one
CID 6999069
CID 159174397
CID 159174397
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylhexan-2-imine?
The IUPAC name of N,3-dimethylhexan-2-imine (CID 123371156) is N,3-dimethylhexan-2-imine.
What is the SMILES notation for N,3-dimethylhexan-2-imine?
The canonical SMILES for N,3-dimethylhexan-2-imine is CCCC(C)/C(C)=N/C.
What is the InChIKey of N,3-dimethylhexan-2-imine?
The InChIKey is YNFMETAIGLUEOA-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h7H,5-6H2,1-4H3/b9-8+.
What are the key properties of N,3-dimethylhexan-2-imine?
N,3-dimethylhexan-2-imine has a molecular weight of 127.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylhexan-2-imine is sourced from PubChem (CID 123371156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).