2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol

C13H28N2O — CID 114448987

IUPAC2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)CCN1CCCC1
InChIInChI=1S/C13H28N2O/c1-12(2)13(3,16)11-14(4)9-10-15-7-5-6-8-15/h12,16H,5-11H2,1-4H3
InChIKeyVPHNTCODBABKQJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

About 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol

2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol (PubChem CID 114448987) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
PubChem CID114448987
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)CCN1CCCC1
InChIInChI=1S/C13H28N2O/c1-12(2)13(3,16)11-14(4)9-10-15-7-5-6-8-15/h12,16H,5-11H2,1-4H3
InChIKeyVPHNTCODBABKQJ-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
CID 114447669
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol
CID 114447442
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163623
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol (CID 114448987) is 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol is CC(C)C(C)(O)CN(C)CCN1CCCC1.
What is the InChIKey of 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol?
The InChIKey is VPHNTCODBABKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)13(3,16)11-14(4)9-10-15-7-5-6-8-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol?
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol is sourced from PubChem (CID 114448987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).