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

C9H21NO2 — CID 97051570

IUPAC(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
SMILESCOC[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C9H21NO2/c1-8(5-4-6-11)10-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyNFMCNMICSCPVEQ-DTWKUNHWSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds7

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

(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol (PubChem CID 97051570) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
PubChem CID97051570
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
SMILESCOC[C@@H](C)N[C@@H](C)CCCO
InChIInChI=1S/C9H21NO2/c1-8(5-4-6-11)10-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyNFMCNMICSCPVEQ-DTWKUNHWSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
CID 103789156
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
(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
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
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-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol (CID 97051570) is (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol is COC[C@@H](C)N[C@@H](C)CCCO.
What is the InChIKey of (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol?
The InChIKey is NFMCNMICSCPVEQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(5-4-6-11)10-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol?
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 97051570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).