2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol

C12H26N2O — CID 115133719

IUPAC2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
SMILESCN1CCC(CCN(C)C(C)(C)CO)C1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15)14(4)8-6-11-5-7-13(3)9-11/h11,15H,5-10H2,1-4H3
InChIKeyUURYXYNTFIJTFM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds5

About 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol

2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol (PubChem CID 115133719) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
PubChem CID115133719
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
SMILESCN1CCC(CCN(C)C(C)(C)CO)C1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15)14(4)8-6-11-5-7-13(3)9-11/h11,15H,5-10H2,1-4H3
InChIKeyUURYXYNTFIJTFM-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
CID 115134356
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
CID 115134039
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134351
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol (CID 115133719) is 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol is CN1CCC(CCN(C)C(C)(C)CO)C1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol?
The InChIKey is UURYXYNTFIJTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-15)14(4)8-6-11-5-7-13(3)9-11/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol?
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 115133719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).