N-(2-methylpentan-2-yl)ethanimine

C8H17N — CID 91118241

IUPACN-(2-methylpentan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)CCC
InChIInChI=1S/C8H17N/c1-5-7-8(3,4)9-6-2/h6H,5,7H2,1-4H3/b9-6+
InChIKeyUUSIMLCVQPJCMR-RMKNXTFCSA-N
MW127.23 g/mol
LogP2.66
Rot. Bonds3

About N-(2-methylpentan-2-yl)ethanimine

N-(2-methylpentan-2-yl)ethanimine (PubChem CID 91118241) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)ethanimine
PubChem CID91118241
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-(2-methylpentan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)CCC
InChIInChI=1S/C8H17N/c1-5-7-8(3,4)9-6-2/h6H,5,7H2,1-4H3/b9-6+
InChIKeyUUSIMLCVQPJCMR-RMKNXTFCSA-N
XLogP2.66
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 ≤ 52.66
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

N-(3,6-dimethylheptan-3-yl)ethanimine
CID 123603789
4-methyl-4-propylhept-2-ene
CID 123389519
bis(2,2-dimethylpentane);methane
CID 159859974
O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine
CID 163456372
2-methyl-2-propylpentanal
CID 12587446
2-methyl-2-propylpropanedial
CID 87392571
CID 101008751
CID 101008751
3,3-dimethylhexane
CID 11233
2,2-dimethylpentane;ethane;propane
CID 156751345
(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
CID 146324332
2-methyl-2-phosphanylpentanal
CID 145198471
2,4-dimethyl-4-(2-methylpentan-2-yloxy)pentan-2-amine
CID 137447361

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)ethanimine?
The IUPAC name of N-(2-methylpentan-2-yl)ethanimine (CID 91118241) is N-(2-methylpentan-2-yl)ethanimine.
What is the SMILES notation for N-(2-methylpentan-2-yl)ethanimine?
The canonical SMILES for N-(2-methylpentan-2-yl)ethanimine is C/C=N/C(C)(C)CCC.
What is the InChIKey of N-(2-methylpentan-2-yl)ethanimine?
The InChIKey is UUSIMLCVQPJCMR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17N/c1-5-7-8(3,4)9-6-2/h6H,5,7H2,1-4H3/b9-6+.
What are the key properties of N-(2-methylpentan-2-yl)ethanimine?
N-(2-methylpentan-2-yl)ethanimine has a molecular weight of 127.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)ethanimine is sourced from PubChem (CID 91118241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).