1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine

C18H30N2 — CID 62861303

IUPAC1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CCC1)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20(4)12-14-6-5-7-14/h8-11,14,17H,5-7,12-13,19H2,1-4H3
InChIKeyAXRXKJUWUZQADR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine

1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62861303) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62861303
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CCC1)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20(4)12-14-6-5-7-14/h8-11,14,17H,5-7,12-13,19H2,1-4H3
InChIKeyAXRXKJUWUZQADR-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 63467781
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521298
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine (CID 62861303) is 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine is CN(CC1CCC1)CC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is AXRXKJUWUZQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20(4)12-14-6-5-7-14/h8-11,14,17H,5-7,12-13,19H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.72, 5 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'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62861303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).