2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

C17H30N2 — CID 117040108

IUPAC2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(C(C)(C)C)cc1CCN(C)C(C)CN
InChIInChI=1S/C17H30N2/c1-13-7-8-16(17(3,4)5)11-15(13)9-10-19(6)14(2)12-18/h7-8,11,14H,9-10,12,18H2,1-6H3
InChIKeyCZUMOJGABQQPRE-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.11
Rot. Bonds5

About 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (PubChem CID 117040108) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
PubChem CID117040108
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(C(C)(C)C)cc1CCN(C)C(C)CN
InChIInChI=1S/C17H30N2/c1-13-7-8-16(17(3,4)5)11-15(13)9-10-19(6)14(2)12-18/h7-8,11,14H,9-10,12,18H2,1-6H3
InChIKeyCZUMOJGABQQPRE-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
CID 115259408
4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol
CID 83935409
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (CID 117040108) is 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is Cc1ccc(C(C)(C)C)cc1CCN(C)C(C)CN.
What is the InChIKey of 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is CZUMOJGABQQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-7-8-16(17(3,4)5)11-15(13)9-10-19(6)14(2)12-18/h7-8,11,14H,9-10,12,18H2,1-6H3.
What are the key properties of 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117040108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).