N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

C14H23N3O — CID 62894833

IUPACN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1CN)CC1CCCO1
InChIInChI=1S/C14H23N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,2,4,6,8-11,15H2,1H3
InChIKeyPRIHNWSHZDQCDO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.54
Rot. Bonds6

About N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62894833) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62894833
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1CN)CC1CCCO1
InChIInChI=1S/C14H23N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,2,4,6,8-11,15H2,1H3
InChIKeyPRIHNWSHZDQCDO-UHFFFAOYSA-N
XLogP1.54
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
CID 29105671
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62894833) is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(Cc1cccnc1CN)CC1CCCO1.
What is the InChIKey of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is PRIHNWSHZDQCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,2,4,6,8-11,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62894833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).