2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol

C9H21NO2 — CID 103019922

IUPAC2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
SMILESCOC(C)(C)CCNC(C)CO
InChIInChI=1S/C9H21NO2/c1-8(7-11)10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyCBANUMKATKBQKH-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol

2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol (PubChem CID 103019922) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
PubChem CID103019922
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
SMILESCOC(C)(C)CCNC(C)CO
InChIInChI=1S/C9H21NO2/c1-8(7-11)10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyCBANUMKATKBQKH-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-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
CID 112588775
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol?
The IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol (CID 103019922) is 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol is COC(C)(C)CCNC(C)CO.
What is the InChIKey of 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol?
The InChIKey is CBANUMKATKBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(7-11)10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol?
2-[(3-methoxy-3-methylbutyl)amino]propan-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-[(3-methoxy-3-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 103019922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).