4-amino-1-methoxy-2-methylpentan-3-ol

C7H17NO2 — CID 116502128

IUPAC4-amino-1-methoxy-2-methylpentan-3-ol
SMILESCOCC(C)C(O)C(C)N
InChIInChI=1S/C7H17NO2/c1-5(4-10-3)7(9)6(2)8/h5-7,9H,4,8H2,1-3H3
InChIKeyBOLIWXXXTIATQV-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-1-methoxy-2-methylpentan-3-ol

4-amino-1-methoxy-2-methylpentan-3-ol (PubChem CID 116502128) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-amino-1-methoxy-2-methylpentan-3-ol.

Molecular Properties

Compound Name4-amino-1-methoxy-2-methylpentan-3-ol
PubChem CID116502128
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-amino-1-methoxy-2-methylpentan-3-ol
SMILESCOCC(C)C(O)C(C)N
InChIInChI=1S/C7H17NO2/c1-5(4-10-3)7(9)6(2)8/h5-7,9H,4,8H2,1-3H3
InChIKeyBOLIWXXXTIATQV-UHFFFAOYSA-N
XLogP-0.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
(2R)-2-amino-4-methylhexan-3-ol
CID 164643928
ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
CID 116502135
2,4-diaminopentan-3-ol
CID 88907217
3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol
CID 170068951
1,1-diamino-3-methoxypropan-2-ol
CID 126732231
(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid
CID 14589444
1-methoxypropan-2-ol chloride
CID 23303898
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol
CID 115625020
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-2-methylpentan-3-ol?
The IUPAC name of 4-amino-1-methoxy-2-methylpentan-3-ol (CID 116502128) is 4-amino-1-methoxy-2-methylpentan-3-ol.
What is the SMILES notation for 4-amino-1-methoxy-2-methylpentan-3-ol?
The canonical SMILES for 4-amino-1-methoxy-2-methylpentan-3-ol is COCC(C)C(O)C(C)N.
What is the InChIKey of 4-amino-1-methoxy-2-methylpentan-3-ol?
The InChIKey is BOLIWXXXTIATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-5(4-10-3)7(9)6(2)8/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-amino-1-methoxy-2-methylpentan-3-ol?
4-amino-1-methoxy-2-methylpentan-3-ol has a molecular weight of 147.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-2-methylpentan-3-ol is sourced from PubChem (CID 116502128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).