N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine

C15H25N3O — CID 104746836

IUPACN,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)Cc1cccc(C)n1)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-12-5-4-6-14(17-12)9-18(3)10-15(16-2)13-7-8-19-11-13/h4-6,13,15-16H,7-11H2,1-3H3
InChIKeyZNMSDZIURDFSDW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.45
Rot. Bonds6

About N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104746836) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104746836
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)Cc1cccc(C)n1)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-12-5-4-6-14(17-12)9-18(3)10-15(16-2)13-7-8-19-11-13/h4-6,13,15-16H,7-11H2,1-3H3
InChIKeyZNMSDZIURDFSDW-UHFFFAOYSA-N
XLogP1.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104746836) is N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)Cc1cccc(C)n1)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ZNMSDZIURDFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-5-4-6-14(17-12)9-18(3)10-15(16-2)13-7-8-19-11-13/h4-6,13,15-16H,7-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).