2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol

C9H21NO2 — CID 115595179

IUPAC2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
SMILESCOCCC(C)NC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-8(5-6-12-4)10-9(2,3)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyXLBXFPZNBNCOSW-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol

2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol (PubChem CID 115595179) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
PubChem CID115595179
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
SMILESCOCCC(C)NC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-8(5-6-12-4)10-9(2,3)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyXLBXFPZNBNCOSW-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
CID 63998115
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788272
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
CID 103780265
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
CID 115919782
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol (CID 115595179) is 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol is COCCC(C)NC(C)(C)CO.
What is the InChIKey of 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol?
The InChIKey is XLBXFPZNBNCOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(5-6-12-4)10-9(2,3)7-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol?
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 115595179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).