4-methoxy-2-methyl-3-methyliminopentan-2-ol

C8H17NO2 — CID 123702945

IUPAC4-methoxy-2-methyl-3-methyliminopentan-2-ol
SMILESC/N=C(\C(C)OC)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-6(11-5)7(9-4)8(2,3)10/h6,10H,1-5H3/b9-7+
InChIKeyIDKDPGJHFBSJQA-VQHVLOKHSA-N
MW159.23 g/mol
LogP0.86
Rot. Bonds3

About 4-methoxy-2-methyl-3-methyliminopentan-2-ol

4-methoxy-2-methyl-3-methyliminopentan-2-ol (PubChem CID 123702945) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-methyliminopentan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-methyliminopentan-2-ol
PubChem CID123702945
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-methoxy-2-methyl-3-methyliminopentan-2-ol
SMILESC/N=C(\C(C)OC)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-6(11-5)7(9-4)8(2,3)10/h6,10H,1-5H3/b9-7+
InChIKeyIDKDPGJHFBSJQA-VQHVLOKHSA-N
XLogP0.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methoxy-N'-methylpropanimidamide
CID 124512055
ethane-1,1,1-triol;methoxymethanediol
CID 158946660
N',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
2-methoxy-N',3,3-trimethylbutanimidamide
CID 116732318
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-propan-2-ylguanidine
CID 111834651
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111711332
N'-hydroxy-2-methoxypropanimidamide
CID 72581636
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726
tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
CID 164707019
N-(1-methoxyethylamino)-N'-methylethanimidamide
CID 146533561
(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene
CID 13197527

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-methyliminopentan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-3-methyliminopentan-2-ol (CID 123702945) is 4-methoxy-2-methyl-3-methyliminopentan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-3-methyliminopentan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-3-methyliminopentan-2-ol is C/N=C(\C(C)OC)C(C)(C)O.
What is the InChIKey of 4-methoxy-2-methyl-3-methyliminopentan-2-ol?
The InChIKey is IDKDPGJHFBSJQA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(11-5)7(9-4)8(2,3)10/h6,10H,1-5H3/b9-7+.
What are the key properties of 4-methoxy-2-methyl-3-methyliminopentan-2-ol?
4-methoxy-2-methyl-3-methyliminopentan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-methyliminopentan-2-ol is sourced from PubChem (CID 123702945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).