2-[[(3S)-hexan-3-yl]amino]ethanol

C8H19NO — CID 27254970

IUPAC2-[[(3S)-hexan-3-yl]amino]ethanol
SMILESCCC[C@H](CC)NCCO
InChIInChI=1S/C8H19NO/c1-3-5-8(4-2)9-6-7-10/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLJLXFUXTGNSVFM-QMMMGPOBSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds6

About 2-[[(3S)-hexan-3-yl]amino]ethanol

2-[[(3S)-hexan-3-yl]amino]ethanol (PubChem CID 27254970) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-[[(3S)-hexan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-hexan-3-yl]amino]ethanol
PubChem CID27254970
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-[[(3S)-hexan-3-yl]amino]ethanol
SMILESCCC[C@H](CC)NCCO
InChIInChI=1S/C8H19NO/c1-3-5-8(4-2)9-6-7-10/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLJLXFUXTGNSVFM-QMMMGPOBSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N-hexan-3-ylhexan-1-amine
CID 62117591
N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
CID 115905349
N-but-3-ynylhexan-3-amine
CID 63656863
2-(2-hydroxyethylamino)pentanenitrile
CID 62586058
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
CID 103921027
2-[3-(2-methoxyethylamino)pentylamino]ethanol
CID 57030298
N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
CID 115905627
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
2-(1-methoxybutylamino)ethanol
CID 134257831

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-hexan-3-yl]amino]ethanol?
The IUPAC name of 2-[[(3S)-hexan-3-yl]amino]ethanol (CID 27254970) is 2-[[(3S)-hexan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3S)-hexan-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(3S)-hexan-3-yl]amino]ethanol is CCC[C@H](CC)NCCO.
What is the InChIKey of 2-[[(3S)-hexan-3-yl]amino]ethanol?
The InChIKey is LJLXFUXTGNSVFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-8(4-2)9-6-7-10/h8-10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[[(3S)-hexan-3-yl]amino]ethanol?
2-[[(3S)-hexan-3-yl]amino]ethanol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-hexan-3-yl]amino]ethanol is sourced from PubChem (CID 27254970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).