N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

C17H28N2O — CID 104745779

IUPACN'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)c1cc(C)cc(C)c1)C1CCOC1
InChIInChI=1S/C17H28N2O/c1-5-18-17(15-6-7-20-12-15)11-19(4)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,5-7,11-12H2,1-4H3
InChIKeyREEURQAYIGCMLY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds6

About N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745779) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745779
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)c1cc(C)cc(C)c1)C1CCOC1
InChIInChI=1S/C17H28N2O/c1-5-18-17(15-6-7-20-12-15)11-19(4)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,5-7,11-12H2,1-4H3
InChIKeyREEURQAYIGCMLY-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746452
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745779) is N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(C)c1cc(C)cc(C)c1)C1CCOC1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is REEURQAYIGCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-17(15-6-7-20-12-15)11-19(4)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,5-7,11-12H2,1-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).