2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol

C12H26N2O — CID 79360191

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

About 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol

2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol (PubChem CID 79360191) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
PubChem CID79360191
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
SMILESCN1CCC(CN(C)CCC(C)(C)O)C1
InChIInChI=1S/C12H26N2O/c1-12(2,15)6-8-14(4)10-11-5-7-13(3)9-11/h11,15H,5-10H2,1-4H3
InChIKeyYCYKDNJJTUTLQH-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

2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)butanamide
CID 63274172
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol (CID 79360191) is 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol is CN1CCC(CN(C)CCC(C)(C)O)C1.
What is the InChIKey of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol?
The InChIKey is YCYKDNJJTUTLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,15)6-8-14(4)10-11-5-7-13(3)9-11/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol?
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-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-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 79360191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).