4-amino-3-ethylpentan-2-ol

C7H17NO — CID 19890516

IUPAC4-amino-3-ethylpentan-2-ol
SMILESCCC(C(C)N)C(C)O
InChIInChI=1S/C7H17NO/c1-4-7(5(2)8)6(3)9/h5-7,9H,4,8H2,1-3H3
InChIKeyDRLZBZBQOICVFN-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About 4-amino-3-ethylpentan-2-ol

4-amino-3-ethylpentan-2-ol (PubChem CID 19890516) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-amino-3-ethylpentan-2-ol.

Molecular Properties

Compound Name4-amino-3-ethylpentan-2-ol
PubChem CID19890516
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-amino-3-ethylpentan-2-ol
SMILESCCC(C(C)N)C(C)O
InChIInChI=1S/C7H17NO/c1-4-7(5(2)8)6(3)9/h5-7,9H,4,8H2,1-3H3
InChIKeyDRLZBZBQOICVFN-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hexanol, 4-amino-2-methyl-
CID 44674
2-Amino-3-methylpentan-1-ol
CID 91202
1-Amino-3-ethylpentan-2-ol
CID 18356486
(2S,3S)-2-Amino-3-methyl-1-pentanol
CID 2724027
4-Amino-2-pentanol
CID 12452686
2-Amino-4-methylpentan-3-ol
CID 226833
(2S)-2-amino-3-methylpentan-1-ol
CID 11789185
(2R,3S)-3-amino-5-methylhexan-2-ol
CID 13949647
3-Amino-5-methyl-hexan-2-ol
CID 44309735
(2S,3S)-3-amino-5-methylhexan-2-ol
CID 91056758
3-Amino-2-methylbutan-1-ol
CID 12542086
3-(Aminomethyl)-3-methylpentan-2-ol
CID 65394245

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethylpentan-2-ol?
The IUPAC name of 4-amino-3-ethylpentan-2-ol (CID 19890516) is 4-amino-3-ethylpentan-2-ol.
What is the SMILES notation for 4-amino-3-ethylpentan-2-ol?
The canonical SMILES for 4-amino-3-ethylpentan-2-ol is CCC(C(C)N)C(C)O.
What is the InChIKey of 4-amino-3-ethylpentan-2-ol?
The InChIKey is DRLZBZBQOICVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(5(2)8)6(3)9/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-amino-3-ethylpentan-2-ol?
4-amino-3-ethylpentan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethylpentan-2-ol is sourced from PubChem (CID 19890516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).