N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine

C14H29N3O — CID 63211209

IUPACN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCNCC1(CN(C)CCN2CCCC2)CCOC1
InChIInChI=1S/C14H29N3O/c1-15-11-14(5-10-18-13-14)12-16(2)8-9-17-6-3-4-7-17/h15H,3-13H2,1-2H3
InChIKeyBGHPJJCCJCQEMN-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds7

About N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine

N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 63211209) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID63211209
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCNCC1(CN(C)CCN2CCCC2)CCOC1
InChIInChI=1S/C14H29N3O/c1-15-11-14(5-10-18-13-14)12-16(2)8-9-17-6-3-4-7-17/h15H,3-13H2,1-2H3
InChIKeyBGHPJJCCJCQEMN-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
CID 113280976
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 79313272
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55226831
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine (CID 63211209) is N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine is CNCC1(CN(C)CCN2CCCC2)CCOC1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is BGHPJJCCJCQEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15-11-14(5-10-18-13-14)12-16(2)8-9-17-6-3-4-7-17/h15H,3-13H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine?
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63211209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).