4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol

C9H21NO2 — CID 103949543

IUPAC4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
SMILESCC[C@H](CO)NC(C)CCCO
InChIInChI=1S/C9H21NO2/c1-3-9(7-12)10-8(2)5-4-6-11/h8-12H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLEDVETYPVHRKPU-YGPZHTELSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds7

About 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol

4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol (PubChem CID 103949543) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
PubChem CID103949543
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
SMILESCC[C@H](CO)NC(C)CCCO
InChIInChI=1S/C9H21NO2/c1-3-9(7-12)10-8(2)5-4-6-11/h8-12H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLEDVETYPVHRKPU-YGPZHTELSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
(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
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335
2-(butan-2-ylamino)undecan-1-ol
CID 114078301

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol (CID 103949543) is 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol is CC[C@H](CO)NC(C)CCCO.
What is the InChIKey of 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The InChIKey is LEDVETYPVHRKPU-YGPZHTELSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-9(7-12)10-8(2)5-4-6-11/h8-12H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 103949543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).