N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C19H34N2 — CID 63469264

IUPACN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)C(C)C(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H34N2/c1-13-10-14(2)18(15(3)11-13)17(20-8)12-21(9)16(4)19(5,6)7/h10-11,16-17,20H,12H2,1-9H3
InChIKeyZIGAYSUDGZJEKK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.24
Rot. Bonds5

About N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 63469264) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID63469264
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)C(C)C(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H34N2/c1-13-10-14(2)18(15(3)11-13)17(20-8)12-21(9)16(4)19(5,6)7/h10-11,16-17,20H,12H2,1-9H3
InChIKeyZIGAYSUDGZJEKK-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 63469264) is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CNC(CN(C)C(C)C(C)(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is ZIGAYSUDGZJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-13-10-14(2)18(15(3)11-13)17(20-8)12-21(9)16(4)19(5,6)7/h10-11,16-17,20H,12H2,1-9H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63469264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).