5-(ethylamino)hexan-3-ol

C8H19NO — CID 140740980

IUPAC5-(ethylamino)hexan-3-ol
SMILESCCNC(C)CC(O)CC
InChIInChI=1S/C8H19NO/c1-4-8(10)6-7(3)9-5-2/h7-10H,4-6H2,1-3H3
InChIKeyPZOCNMXKNJXRBP-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds5

About 5-(ethylamino)hexan-3-ol

5-(ethylamino)hexan-3-ol (PubChem CID 140740980) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-(ethylamino)hexan-3-ol.

Molecular Properties

Compound Name5-(ethylamino)hexan-3-ol
PubChem CID140740980
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-(ethylamino)hexan-3-ol
SMILESCCNC(C)CC(O)CC
InChIInChI=1S/C8H19NO/c1-4-8(10)6-7(3)9-5-2/h7-10H,4-6H2,1-3H3
InChIKeyPZOCNMXKNJXRBP-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)tetradecan-4-ol
CID 174619810
(3R,5R)-heptane-3,5-diol
CID 12641368
1-(propan-2-ylamino)heptane-3,5-diol
CID 171508088
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
1-fluorobutan-2-ol
CID 13278453
N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine
CID 174071883
N-ethyl-4,6-dimethylhept-6-en-2-amine
CID 79186327
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
1-(1-hydroxypropan-2-ylamino)butan-2-ol
CID 60885826

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)hexan-3-ol?
The IUPAC name of 5-(ethylamino)hexan-3-ol (CID 140740980) is 5-(ethylamino)hexan-3-ol.
What is the SMILES notation for 5-(ethylamino)hexan-3-ol?
The canonical SMILES for 5-(ethylamino)hexan-3-ol is CCNC(C)CC(O)CC.
What is the InChIKey of 5-(ethylamino)hexan-3-ol?
The InChIKey is PZOCNMXKNJXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(10)6-7(3)9-5-2/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(ethylamino)hexan-3-ol?
5-(ethylamino)hexan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)hexan-3-ol is sourced from PubChem (CID 140740980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).