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

C15H26N2 — CID 61386535

IUPACN-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-13-6-8-14(9-7-13)12-17(5)11-10-16-15(2,3)4/h6-9,16H,10-12H2,1-5H3
InChIKeyQHHQHWWZQFRLBC-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.81
Rot. Bonds5

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

N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 61386535) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID61386535
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-13-6-8-14(9-7-13)12-17(5)11-10-16-15(2,3)4/h6-9,16H,10-12H2,1-5H3
InChIKeyQHHQHWWZQFRLBC-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62574152
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 55085477
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one
CID 114039691
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 61386535) is N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)CCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is QHHQHWWZQFRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-6-8-14(9-7-13)12-17(5)11-10-16-15(2,3)4/h6-9,16H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 61386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).