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

C17H28N2O — CID 82735589

IUPACN,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CN(C)C2CCOC2)NC)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-14-6-8-15(9-7-14)17(18-2)12-19(3)16-10-11-20-13-16/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyMPCUZAWWOQIIJH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds7

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

N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 82735589) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID82735589
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CN(C)C2CCOC2)NC)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-14-6-8-15(9-7-14)17(18-2)12-19(3)16-10-11-20-13-16/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyMPCUZAWWOQIIJH-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734630
N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
CID 62382237
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82732204
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-(2,4-dimethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82733681
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine (CID 82735589) is N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(CN(C)C2CCOC2)NC)cc1.
What is the InChIKey of N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is MPCUZAWWOQIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-14-6-8-15(9-7-14)17(18-2)12-19(3)16-10-11-20-13-16/h6-9,16-18H,4-5,10-13H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82735589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).