2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol

C12H25NO2 — CID 115894970

IUPAC2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
SMILESCCC(NCC(C)(C)CO)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-4-11(10-5-6-15-7-10)13-8-12(2,3)9-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyKWGDXARLZAJHMM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds6

About 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol

2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol (PubChem CID 115894970) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
PubChem CID115894970
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
SMILESCCC(NCC(C)(C)CO)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-4-11(10-5-6-15-7-10)13-8-12(2,3)9-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyKWGDXARLZAJHMM-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
CID 115921108
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
2-[[1-(oxolan-3-yl)propylamino]methyl]cyclopentan-1-ol
CID 115724703
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
CID 103874731
3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
CID 115359046
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol (CID 115894970) is 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol is CCC(NCC(C)(C)CO)C1CCOC1.
What is the InChIKey of 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol?
The InChIKey is KWGDXARLZAJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-11(10-5-6-15-7-10)13-8-12(2,3)9-14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol?
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol is sourced from PubChem (CID 115894970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).