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

2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
2-N,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
CID 63276055
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812

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).