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

C12H26N2O — CID 115137663

IUPAC3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
SMILESCC(C)C(CO)N(C)CC1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15)14(4)8-11-5-6-13(3)7-11/h10-12,15H,5-9H2,1-4H3
InChIKeyDIYXMMKUXVVOSH-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.89
Rot. Bonds5

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

3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol (PubChem CID 115137663) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
PubChem CID115137663
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
SMILESCC(C)C(CO)N(C)CC1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15)14(4)8-11-5-6-13(3)7-11/h10-12,15H,5-9H2,1-4H3
InChIKeyDIYXMMKUXVVOSH-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(2S)-3-methyl-2-(pyrrolidin-1-yl)butan-1-ol
CID 130129265
(S)-2-((R)-3-(fluoromethyl)pyrrolidin-1-yl)propan-1-ol
CID 89634400
2-[3-(Fluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 117774496
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 175050328
(2S)-2-pyrrolidin-1-ylbutan-1-ol
CID 107094489
(R)-2-Pyrrolidin-1-yl-butan-1-ol
CID 15203030
[4-(Diethylaminomethyl)-1-methylpyrrolidin-3-yl]methanol
CID 18723531
2-(1-Pyrrolidinyl)butanol
CID 21182790
3-Methyl-2-[3-methylbutyl(propan-2-yl)amino]butan-1-ol
CID 21355363
2-(3-Methylpyrrolidin-1-yl)propan-1-ol
CID 21884671
(3R,4S)-2,5-dimethyl-4-pyrrolidin-1-ylhexan-3-ol
CID 23249779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol (CID 115137663) is 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol is CC(C)C(CO)N(C)CC1CCN(C)C1.
What is the InChIKey of 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol?
The InChIKey is DIYXMMKUXVVOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(9-15)14(4)8-11-5-6-13(3)7-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol?
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 115137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).