2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol

C13H28N2O — CID 81412153

IUPAC2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
SMILESCC(C)N1CCC(CNCC(C)(C)CO)C1
InChIInChI=1S/C13H28N2O/c1-11(2)15-6-5-12(8-15)7-14-9-13(3,4)10-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQCSRFBGCKOJNLD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds6

About 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol

2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol (PubChem CID 81412153) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
PubChem CID81412153
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
SMILESCC(C)N1CCC(CNCC(C)(C)CO)C1
InChIInChI=1S/C13H28N2O/c1-11(2)15-6-5-12(8-15)7-14-9-13(3,4)10-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQCSRFBGCKOJNLD-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 81093588
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol (CID 81412153) is 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol is CC(C)N1CCC(CNCC(C)(C)CO)C1.
What is the InChIKey of 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol?
The InChIKey is QCSRFBGCKOJNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15-6-5-12(8-15)7-14-9-13(3,4)10-16/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol?
2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 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-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 81412153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).