2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol

C14H30N2O — CID 115135603

IUPAC2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
SMILESCN1CCC(C(C)(C)CNCC(C)(C)CO)C1
InChIInChI=1S/C14H30N2O/c1-13(2,11-17)9-15-10-14(3,4)12-6-7-16(5)8-12/h12,15,17H,6-11H2,1-5H3
InChIKeyVWYSCWLZOXZJQC-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.57
Rot. Bonds6

About 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol

2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol (PubChem CID 115135603) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
PubChem CID115135603
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
SMILESCN1CCC(C(C)(C)CNCC(C)(C)CO)C1
InChIInChI=1S/C14H30N2O/c1-13(2,11-17)9-15-10-14(3,4)12-6-7-16(5)8-12/h12,15,17H,6-11H2,1-5H3
InChIKeyVWYSCWLZOXZJQC-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol with MolForge

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Related Compounds

[3-(Propan-2-yl)pyrrolidin-3-yl]methanol
CID 80082382
[3-(2-Fluoropropan-2-yl)pyrrolidin-3-yl]methanol
CID 156294521
(2,2,4,4-Tetramethylpyrrolidin-3-yl)methanol
CID 15741515
1-(4,4-Dimethylpyrrolidin-3-yl)ethanol
CID 55299303
4-Tert-butylpyrrolidin-3-ol
CID 58391556
3-(3-Propan-2-ylpyrrolidin-1-yl)propan-1-ol
CID 67281916
(4-Propan-2-ylpyrrolidin-3-yl)methanol
CID 84072481
(4-Methyl-4-propan-2-ylpyrrolidin-3-yl)methanol
CID 90167866
3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-1-ol
CID 90251702
[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol
CID 138468400
4-Tert-butylpyrrolidin-2-ol
CID 139336231
3-Methyl-2-propan-2-yl-2-(pyrrolidin-1-ylmethyl)butan-1-ol
CID 139652462

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol (CID 115135603) is 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol is CN1CCC(C(C)(C)CNCC(C)(C)CO)C1.
What is the InChIKey of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol?
The InChIKey is VWYSCWLZOXZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,11-17)9-15-10-14(3,4)12-6-7-16(5)8-12/h12,15,17H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol?
2,2-dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.57, 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-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol is sourced from PubChem (CID 115135603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).