2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol

C13H27NO2 — CID 115359250

IUPAC2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(C)(C)CO)CCO1
InChIInChI=1S/C13H27NO2/c1-10(2)12-7-11(5-6-16-12)14-8-13(3,4)9-15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNSMOKXOFHMVKII-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds5

About 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol

2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol (PubChem CID 115359250) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
PubChem CID115359250
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(C)(C)CO)CCO1
InChIInChI=1S/C13H27NO2/c1-10(2)12-7-11(5-6-16-12)14-8-13(3,4)9-15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNSMOKXOFHMVKII-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(Piperidin-2-yl)propan-1-ol
CID 55286054
(2R,4S,6S)-2-tert-butyl-6-cyclohexylpiperidin-4-ol
CID 102259870
1,1,1-Trifluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol
CID 103930671
1,1-Difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol
CID 103930716
2,2-Difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
CID 104857770
2-(6-Methylpiperidin-2-yl)cyclooctan-1-ol
CID 335679
(2R,4R)-2-Isopropylpiperidine-4-ol
CID 12100024
cis-(1R,2S)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724502
trans-(1R,2R)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724503
2-[(Propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724504
2-(5-Ethylpiperidin-2-yl)ethan-1-ol
CID 13049185
2-Piperidin-2-ylbutan-1-ol
CID 13967751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol (CID 115359250) is 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol is CC(C)C1CC(NCC(C)(C)CO)CCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The InChIKey is NSMOKXOFHMVKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)12-7-11(5-6-16-12)14-8-13(3,4)9-15/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 115359250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).