N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine

C13H26N2O — CID 63954673

IUPACN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCN(CC1CC1)CC1(CNC)CCOC1
InChIInChI=1S/C13H26N2O/c1-3-15(8-12-4-5-12)10-13(9-14-2)6-7-16-11-13/h12,14H,3-11H2,1-2H3
InChIKeyDTFQZKQYUBTFEP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine

N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 63954673) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID63954673
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCN(CC1CC1)CC1(CNC)CCOC1
InChIInChI=1S/C13H26N2O/c1-3-15(8-12-4-5-12)10-13(9-14-2)6-7-16-11-13/h12,14H,3-11H2,1-2H3
InChIKeyDTFQZKQYUBTFEP-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 63955479
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
CID 107401725
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 63955478
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
N-[[3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056042
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62259384

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine (CID 63954673) is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine is CCN(CC1CC1)CC1(CNC)CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is DTFQZKQYUBTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15(8-12-4-5-12)10-13(9-14-2)6-7-16-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63954673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).