1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

C17H30N2 — CID 79052895

IUPAC1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-16(2,3)14-11-9-13(10-12-14)15(18-6)17(4,5)19(7)8/h9-12,15,18H,1-8H3
InChIKeyIQYFVXABVJYFPG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (PubChem CID 79052895) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
PubChem CID79052895
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-16(2,3)14-11-9-13(10-12-14)15(18-6)17(4,5)19(7)8/h9-12,15,18H,1-8H3
InChIKeyIQYFVXABVJYFPG-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
1-N,2-N,2-N,2-tetramethyl-1-pyrimidin-5-ylpropane-1,2-diamine
CID 79053495
1-N,2-N,2-N,2-tetramethyl-1-pyridin-3-ylpropane-1,2-diamine
CID 79053395
1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 79053612
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 107513536
1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431
1-N,2-N,2-N,2-tetramethyl-1-(4-methyl-3-pyridinyl)propane-1,2-diamine
CID 79053905
N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66259751
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (CID 79052895) is 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is CNC(c1ccc(C(C)(C)C)cc1)C(C)(C)N(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The InChIKey is IQYFVXABVJYFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-16(2,3)14-11-9-13(10-12-14)15(18-6)17(4,5)19(7)8/h9-12,15,18H,1-8H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 79052895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).