N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

C13H26N2O — CID 120905253

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCN(CCC1CCCO1)CC1(C)CCNC1
InChIInChI=1S/C13H26N2O/c1-13(6-7-14-10-13)11-15(2)8-5-12-4-3-9-16-12/h12,14H,3-11H2,1-2H3
InChIKeyFQPVHTSTAKKGPG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 120905253) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID120905253
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCN(CCC1CCCO1)CC1(C)CCNC1
InChIInChI=1S/C13H26N2O/c1-13(6-7-14-10-13)11-15(2)8-5-12-4-3-9-16-12/h12,14H,3-11H2,1-2H3
InChIKeyFQPVHTSTAKKGPG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120901057
1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63143005
2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 120901096
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 120898763
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
CID 120902061
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 120905253) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is CN(CCC1CCCO1)CC1(C)CCNC1.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is FQPVHTSTAKKGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(6-7-14-10-13)11-15(2)8-5-12-4-3-9-16-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 120905253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).