4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine

C13H27N3O — CID 113280976

IUPAC4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
SMILESCN(CCN1CCCC1)CC1(N)CCOCC1
InChIInChI=1S/C13H27N3O/c1-15(8-9-16-6-2-3-7-16)12-13(14)4-10-17-11-5-13/h2-12,14H2,1H3
InChIKeyWKZDAYYKCLXACV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds5

About 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine

4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine (PubChem CID 113280976) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
PubChem CID113280976
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
SMILESCN(CCN1CCCC1)CC1(N)CCOCC1
InChIInChI=1S/C13H27N3O/c1-15(8-9-16-6-2-3-7-16)12-13(14)4-10-17-11-5-13/h2-12,14H2,1H3
InChIKeyWKZDAYYKCLXACV-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928928
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
3-[[2-methoxyethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893461
1-[[methyl(propyl)amino]methyl]cyclopentan-1-amine
CID 60854443
3-[[ethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893424
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-amine
CID 64893861
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
CID 63207778

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine (CID 113280976) is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine is CN(CCN1CCCC1)CC1(N)CCOCC1.
What is the InChIKey of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine?
The InChIKey is WKZDAYYKCLXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(8-9-16-6-2-3-7-16)12-13(14)4-10-17-11-5-13/h2-12,14H2,1H3.
What are the key properties of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine?
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 113280976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).