N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine

C22H32N2 — CID 170189263

IUPACN,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C22H32N2/c1-7-24(22-19(4)13-9-14-20(22)5)16-10-15-23(6)21-17(2)11-8-12-18(21)3/h8-9,11-14H,7,10,15-16H2,1-6H3
InChIKeyVCTFKKYHDODNCZ-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.27
Rot. Bonds7

About N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine

N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine (PubChem CID 170189263) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
PubChem CID170189263
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C22H32N2/c1-7-24(22-19(4)13-9-14-20(22)5)16-10-15-23(6)21-17(2)11-8-12-18(21)3/h8-9,11-14H,7,10,15-16H2,1-6H3
InChIKeyVCTFKKYHDODNCZ-UHFFFAOYSA-N
XLogP5.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2,6-dimethylaniline
CID 100917562
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
2-[butyl(ethyl)amino]-3-methylbenzonitrile
CID 107106343
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
CID 82319983
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
CID 115553982
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
N,N'-bis(2,6-dimethylphenyl)-N,N',2,2-tetramethylpropane-1,3-diamine
CID 155394536

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine (CID 170189263) is N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine is CCN(CCCN(C)c1c(C)cccc1C)c1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine?
The InChIKey is VCTFKKYHDODNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-7-24(22-19(4)13-9-14-20(22)5)16-10-15-23(6)21-17(2)11-8-12-18(21)3/h8-9,11-14H,7,10,15-16H2,1-6H3.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine?
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine has a molecular weight of 324.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 170189263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).