5-amino-4-ethylhexan-3-ol

C8H19NO — CID 19890517

IUPAC5-amino-4-ethylhexan-3-ol
SMILESCCC(O)C(CC)C(C)N
InChIInChI=1S/C8H19NO/c1-4-7(6(3)9)8(10)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyLMWAKXSCHTZJBP-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-4-ethylhexan-3-ol

5-amino-4-ethylhexan-3-ol (PubChem CID 19890517) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-amino-4-ethylhexan-3-ol.

Molecular Properties

Compound Name5-amino-4-ethylhexan-3-ol
PubChem CID19890517
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-amino-4-ethylhexan-3-ol
SMILESCCC(O)C(CC)C(C)N
InChIInChI=1S/C8H19NO/c1-4-7(6(3)9)8(10)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyLMWAKXSCHTZJBP-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hexanol, 4-amino-2-methyl-
CID 44674
(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
1-[1-(Aminomethyl)cyclopropyl]-2-methylpropan-1-ol
CID 71758169
1-Amino-3,4-dimethyl-hexan-2-ol
CID 44272310
1-Amino-2-methylhexan-3-ol
CID 65190107
(3r,4s)-4-Amino-2,5-dimethylhexan-3-ol
CID 10820668
3-(Aminomethyl)-1,1,1-trifluoro-5-methylhexan-2-ol
CID 65187780
1-Amino-6,6,6-trifluoro-4,5-dimethylhexan-3-ol
CID 84024610
2-Amino-6,6,6-trifluoro-4,5-dimethylhexan-3-ol
CID 84024611
2-Amino-4-fluoro-5-methylhexan-3-ol
CID 84649329

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethylhexan-3-ol?
The IUPAC name of 5-amino-4-ethylhexan-3-ol (CID 19890517) is 5-amino-4-ethylhexan-3-ol.
What is the SMILES notation for 5-amino-4-ethylhexan-3-ol?
The canonical SMILES for 5-amino-4-ethylhexan-3-ol is CCC(O)C(CC)C(C)N.
What is the InChIKey of 5-amino-4-ethylhexan-3-ol?
The InChIKey is LMWAKXSCHTZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(6(3)9)8(10)5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 5-amino-4-ethylhexan-3-ol?
5-amino-4-ethylhexan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethylhexan-3-ol is sourced from PubChem (CID 19890517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).