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

C11H25NO — CID 97051624

IUPAC(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
SMILESCC(C)C[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C11H25NO/c1-9(2)8-11(4)12-10(3)6-5-7-13/h9-13H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKeyOBOHBPBYXPOTMM-WDEREUQCSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds7

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

(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol (PubChem CID 97051624) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
PubChem CID97051624
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
SMILESCC(C)C[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C11H25NO/c1-9(2)8-11(4)12-10(3)6-5-7-13/h9-13H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKeyOBOHBPBYXPOTMM-WDEREUQCSA-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)-4-methylpentan-2-yl]amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(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
(4S)-6-methylheptane-1,4-diol
CID 88522325
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol (CID 97051624) is (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol is CC(C)C[C@@H](C)N[C@@H](C)CCCO.
What is the InChIKey of (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol?
The InChIKey is OBOHBPBYXPOTMM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)8-11(4)12-10(3)6-5-7-13/h9-13H,5-8H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol?
(4S)-4-[[(2R)-4-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)-4-methylpentan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 97051624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).