3-(hexan-2-ylamino)butan-1-ol

C10H23NO — CID 81338957

IUPAC3-(hexan-2-ylamino)butan-1-ol
SMILESCCCCC(C)NC(C)CCO
InChIInChI=1S/C10H23NO/c1-4-5-6-9(2)11-10(3)7-8-12/h9-12H,4-8H2,1-3H3
InChIKeyLCBXYRAAJDBECO-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds7

About 3-(hexan-2-ylamino)butan-1-ol

3-(hexan-2-ylamino)butan-1-ol (PubChem CID 81338957) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(hexan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-(hexan-2-ylamino)butan-1-ol
PubChem CID81338957
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(hexan-2-ylamino)butan-1-ol
SMILESCCCCC(C)NC(C)CCO
InChIInChI=1S/C10H23NO/c1-4-5-6-9(2)11-10(3)7-8-12/h9-12H,4-8H2,1-3H3
InChIKeyLCBXYRAAJDBECO-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
3-(hexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723205
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
3-(octylamino)butan-1-ol
CID 83177243
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
CID 115726149

Frequently Asked Questions

What is the IUPAC name of 3-(hexan-2-ylamino)butan-1-ol?
The IUPAC name of 3-(hexan-2-ylamino)butan-1-ol (CID 81338957) is 3-(hexan-2-ylamino)butan-1-ol.
What is the SMILES notation for 3-(hexan-2-ylamino)butan-1-ol?
The canonical SMILES for 3-(hexan-2-ylamino)butan-1-ol is CCCCC(C)NC(C)CCO.
What is the InChIKey of 3-(hexan-2-ylamino)butan-1-ol?
The InChIKey is LCBXYRAAJDBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-6-9(2)11-10(3)7-8-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-(hexan-2-ylamino)butan-1-ol?
3-(hexan-2-ylamino)butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-2-ylamino)butan-1-ol is sourced from PubChem (CID 81338957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).