3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol

C9H21NO3 — CID 66168803

IUPAC3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
SMILESCOCCC(C)NCC(C)(O)CO
InChIInChI=1S/C9H21NO3/c1-8(4-5-13-3)10-6-9(2,12)7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyOWNLJBWMKPXEDK-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.26
Rot. Bonds7

About 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol

3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol (PubChem CID 66168803) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
PubChem CID66168803
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
SMILESCOCCC(C)NCC(C)(O)CO
InChIInChI=1S/C9H21NO3/c1-8(4-5-13-3)10-6-9(2,12)7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyOWNLJBWMKPXEDK-UHFFFAOYSA-N
XLogP-0.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
CID 115748000
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
CID 66185324
tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788272
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol (CID 66168803) is 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol is COCCC(C)NCC(C)(O)CO.
What is the InChIKey of 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol?
The InChIKey is OWNLJBWMKPXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(4-5-13-3)10-6-9(2,12)7-11/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol?
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol has a molecular weight of 191.27 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 66168803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).