1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine

C19H34N2 — CID 63467628

IUPAC1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(N(C)CC(N)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-14(18(2,3)4)21(8)13-17(20)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17H,13,20H2,1-8H3
InChIKeyMTJXUUCVENEBNV-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine

1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 63467628) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID63467628
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(N(C)CC(N)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-14(18(2,3)4)21(8)13-17(20)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17H,13,20H2,1-8H3
InChIKeyMTJXUUCVENEBNV-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
CID 63471529
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
CID 82939741
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine (CID 63467628) is 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine is CC(N(C)CC(N)c1ccc(C(C)(C)C)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is MTJXUUCVENEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-14(18(2,3)4)21(8)13-17(20)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17H,13,20H2,1-8H3.
What are the key properties of 1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.35, 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)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63467628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).