3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol

C12H26N2O — CID 106025507

IUPAC3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-12(15,5-2)10-13-9-11-7-6-8-14(11)3/h11,13,15H,4-10H2,1-3H3
InChIKeySUJBDTUUAJRKTK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol

3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 106025507) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID106025507
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-12(15,5-2)10-13-9-11-7-6-8-14(11)3/h11,13,15H,4-10H2,1-3H3
InChIKeySUJBDTUUAJRKTK-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol with MolForge

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Related Compounds

2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106025385
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654671
2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
CID 62657761
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol (CID 106025507) is 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCC1CCCN1C.
What is the InChIKey of 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is SUJBDTUUAJRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(15,5-2)10-13-9-11-7-6-8-14(11)3/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 106025507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).