N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine

C18H22N2O — CID 95857698

IUPACN-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)C[C@@H]2CCOC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)12-20(13-17-9-11-21-15-17)14-18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2/t17-/m0/s1
InChIKeyWPFLSAYKHQXLTG-KRWDZBQOSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine

N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 95857698) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID95857698
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)C[C@@H]2CCOC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)12-20(13-17-9-11-21-15-17)14-18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2/t17-/m0/s1
InChIKeyWPFLSAYKHQXLTG-KRWDZBQOSA-N
XLogP3.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 95285929
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
CID 124755311
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
N-benzyl-1-(oxan-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 122158250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 95857698) is N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccccn2)C[C@@H]2CCOC2)cc1.
What is the InChIKey of N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is WPFLSAYKHQXLTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)12-20(13-17-9-11-21-15-17)14-18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2/t17-/m0/s1.
What are the key properties of N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 95857698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).