N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine

C17H30N2 — CID 115205937

IUPACN'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-7-18-10-11-19(6)13-15-8-9-16(12-14(15)2)17(3,4)5/h8-9,12,18H,7,10-11,13H2,1-6H3
InChIKeyOVSXBNPZJSCIMN-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.33
Rot. Bonds6

About N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine

N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 115205937) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID115205937
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-7-18-10-11-19(6)13-15-8-9-16(12-14(15)2)17(3,4)5/h8-9,12,18H,7,10-11,13H2,1-6H3
InChIKeyOVSXBNPZJSCIMN-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
CID 115259408
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
1-(5-tert-butyl-2-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263157
N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227379
N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine
CID 134406057

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine (CID 115205937) is N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)Cc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is OVSXBNPZJSCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-18-10-11-19(6)13-15-8-9-16(12-14(15)2)17(3,4)5/h8-9,12,18H,7,10-11,13H2,1-6H3.
What are the key properties of N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine?
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115205937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).