N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine

C18H24N4O — CID 46983238

IUPACN-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H24N4O/c1-19-18-15(6-4-10-21-18)12-22(14-17-8-5-11-23-17)13-16-7-2-3-9-20-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21)
InChIKeyLBJBGULQJLEWGL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.70
Rot. Bonds7

About N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine

N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 46983238) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID46983238
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H24N4O/c1-19-18-15(6-4-10-21-18)12-22(14-17-8-5-11-23-17)13-16-7-2-3-9-20-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21)
InChIKeyLBJBGULQJLEWGL-UHFFFAOYSA-N
XLogP2.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 46954495
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[(1-ethylindol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 99929466
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43818156
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
N-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46953983
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45169943

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine (CID 46983238) is N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine is CNc1ncccc1CN(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is LBJBGULQJLEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-19-18-15(6-4-10-21-18)12-22(14-17-8-5-11-23-17)13-16-7-2-3-9-20-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 46983238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).