N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C19H36N2O — CID 156866555

IUPACN'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCOCC(C)(C)C(C)(C)N(C)CCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C19H36N2O/c1-16-9-11-17(12-10-16)20(6)13-14-21(7)19(4,5)18(2,3)15-22-8/h9,11H,10,12-15H2,1-8H3
InChIKeyUHKXGGBIASEONN-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.93
Rot. Bonds8

About N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 156866555) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID156866555
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC NameN'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCOCC(C)(C)C(C)(C)N(C)CCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C19H36N2O/c1-16-9-11-17(12-10-16)20(6)13-14-21(7)19(4,5)18(2,3)15-22-8/h9,11H,10,12-15H2,1-8H3
InChIKeyUHKXGGBIASEONN-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 156866555) is N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is COCC(C)(C)C(C)(C)N(C)CCN(C)C1=CC=C(C)CC1.
What is the InChIKey of N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is UHKXGGBIASEONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-16-9-11-17(12-10-16)20(6)13-14-21(7)19(4,5)18(2,3)15-22-8/h9,11H,10,12-15H2,1-8H3.
What are the key properties of N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 308.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 156866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).