N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C15H25N3O — CID 104744988

IUPACN,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCc1ccncc1)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-16-15(14-6-10-19-12-14)11-18(2)9-5-13-3-7-17-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3
InChIKeyYFOBYKPWGBBOOJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.18
Rot. Bonds7

About N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 104744988) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID104744988
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCc1ccncc1)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-16-15(14-6-10-19-12-14)11-18(2)9-5-13-3-7-17-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3
InChIKeyYFOBYKPWGBBOOJ-UHFFFAOYSA-N
XLogP1.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
[1-(oxolan-3-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105306625
1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104744827
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560654
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 104744569

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 104744988) is N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CNC(CN(C)CCc1ccncc1)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is YFOBYKPWGBBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-15(14-6-10-19-12-14)11-18(2)9-5-13-3-7-17-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).