4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol

C10H23NO2 — CID 115972098

IUPAC4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC(C)C(C)CO
InChIInChI=1S/C10H23NO2/c1-8(7-13)10(3)11-9(2)5-4-6-12/h8-13H,4-7H2,1-3H3
InChIKeyBBTURYWZJMODNL-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.75
Rot. Bonds7

About 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol

4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol (PubChem CID 115972098) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
PubChem CID115972098
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC(C)C(C)CO
InChIInChI=1S/C10H23NO2/c1-8(7-13)10(3)11-9(2)5-4-6-12/h8-13H,4-7H2,1-3H3
InChIKeyBBTURYWZJMODNL-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
3-(dicyclopropylmethylamino)-2-methylbutan-1-ol
CID 115722745
3-(hexan-2-ylamino)butan-1-ol
CID 81338957

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol (CID 115972098) is 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol is CC(CCCO)NC(C)C(C)CO.
What is the InChIKey of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol?
The InChIKey is BBTURYWZJMODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(7-13)10(3)11-9(2)5-4-6-12/h8-13H,4-7H2,1-3H3.
What are the key properties of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol?
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 115972098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).