(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol

C11H25NO — CID 97051592

IUPAC(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
SMILESCC[C@@H](C)[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C11H25NO/c1-5-9(2)11(4)12-10(3)7-6-8-13/h9-13H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyPLPODTUXESQWBK-OUAUKWLOSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds7

About (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol

(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol (PubChem CID 97051592) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
PubChem CID97051592
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
SMILESCC[C@@H](C)[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C11H25NO/c1-5-9(2)11(4)12-10(3)7-6-8-13/h9-13H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyPLPODTUXESQWBK-OUAUKWLOSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol with MolForge

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Related Compounds

4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
(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-[[(2S,3R)-3-methylpentan-2-yl]amino]propane-1,3-diol
CID 96980583
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
CID 66089447
3-cyclopropyl-3-(3-methylpentan-2-ylamino)propan-1-ol
CID 115891712
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol (CID 97051592) is (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol is CC[C@@H](C)[C@@H](C)N[C@@H](C)CCCO.
What is the InChIKey of (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol?
The InChIKey is PLPODTUXESQWBK-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-9(2)11(4)12-10(3)7-6-8-13/h9-13H,5-8H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol?
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 97051592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).