3-(1-methoxypentan-2-ylamino)propane-1,2-diol

C9H21NO3 — CID 77035883

IUPAC3-(1-methoxypentan-2-ylamino)propane-1,2-diol
SMILESCCCC(COC)NCC(O)CO
InChIInChI=1S/C9H21NO3/c1-3-4-8(7-13-2)10-5-9(12)6-11/h8-12H,3-7H2,1-2H3
InChIKeyNCXKXBWMILWBOB-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.26
Rot. Bonds8

About 3-(1-methoxypentan-2-ylamino)propane-1,2-diol

3-(1-methoxypentan-2-ylamino)propane-1,2-diol (PubChem CID 77035883) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(1-methoxypentan-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-methoxypentan-2-ylamino)propane-1,2-diol
PubChem CID77035883
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name3-(1-methoxypentan-2-ylamino)propane-1,2-diol
SMILESCCCC(COC)NCC(O)CO
InChIInChI=1S/C9H21NO3/c1-3-4-8(7-13-2)10-5-9(12)6-11/h8-12H,3-7H2,1-2H3
InChIKeyNCXKXBWMILWBOB-UHFFFAOYSA-N
XLogP-0.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1-methoxypentan-2-ylamino)propane-1,2-diol 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

3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
(2R)-3-(1-hydroxybutylamino)propane-1,2-diol
CID 156656657
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
CID 106437796
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
CID 115725096

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypentan-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1-methoxypentan-2-ylamino)propane-1,2-diol (CID 77035883) is 3-(1-methoxypentan-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-methoxypentan-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-methoxypentan-2-ylamino)propane-1,2-diol is CCCC(COC)NCC(O)CO.
What is the InChIKey of 3-(1-methoxypentan-2-ylamino)propane-1,2-diol?
The InChIKey is NCXKXBWMILWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-3-4-8(7-13-2)10-5-9(12)6-11/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(1-methoxypentan-2-ylamino)propane-1,2-diol?
3-(1-methoxypentan-2-ylamino)propane-1,2-diol has a molecular weight of 191.27 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypentan-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 77035883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).