N-(2-methoxypropan-2-yl)propan-1-imine

C7H15NO — CID 163607706

IUPACN-(2-methoxypropan-2-yl)propan-1-imine
SMILESCCC=NC(C)(C)OC
InChIInChI=1S/C7H15NO/c1-5-6-8-7(2,3)9-4/h6H,5H2,1-4H3
InChIKeyHDEUCQZYCLUPKN-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds3

About N-(2-methoxypropan-2-yl)propan-1-imine

N-(2-methoxypropan-2-yl)propan-1-imine (PubChem CID 163607706) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(2-methoxypropan-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(2-methoxypropan-2-yl)propan-1-imine
PubChem CID163607706
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(2-methoxypropan-2-yl)propan-1-imine
SMILESCCC=NC(C)(C)OC
InChIInChI=1S/C7H15NO/c1-5-6-8-7(2,3)9-4/h6H,5H2,1-4H3
InChIKeyHDEUCQZYCLUPKN-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-tert-butylsulfanylpropan-1-imine
CID 156639534
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
bis(2-methoxybutan-2-yl)diazene
CID 54130241
(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
CID 88709290
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343
(Z)-N-tert-butylhex-3-en-1-imine
CID 87184267
2-(2-methoxypropan-2-yl)guanidine
CID 54372387
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2-methoxy-2-methylpropane;pentane
CID 22145886
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropan-2-yl)propan-1-imine?
The IUPAC name of N-(2-methoxypropan-2-yl)propan-1-imine (CID 163607706) is N-(2-methoxypropan-2-yl)propan-1-imine.
What is the SMILES notation for N-(2-methoxypropan-2-yl)propan-1-imine?
The canonical SMILES for N-(2-methoxypropan-2-yl)propan-1-imine is CCC=NC(C)(C)OC.
What is the InChIKey of N-(2-methoxypropan-2-yl)propan-1-imine?
The InChIKey is HDEUCQZYCLUPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6-8-7(2,3)9-4/h6H,5H2,1-4H3.
What are the key properties of N-(2-methoxypropan-2-yl)propan-1-imine?
N-(2-methoxypropan-2-yl)propan-1-imine has a molecular weight of 129.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropan-2-yl)propan-1-imine is sourced from PubChem (CID 163607706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).