N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C15H26N2 — CID 59788958

IUPACN-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H26N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,9-10,12H2,1-5H3
InChIKeyYRMUQHKMNOPJAX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.64
Rot. Bonds5

About N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 59788958) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID59788958
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H26N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,9-10,12H2,1-5H3
InChIKeyYRMUQHKMNOPJAX-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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

CID 140622426
CID 140622426
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
(E)-but-2-ene;ethane;N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 143170155
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[[3-[5-[3-(dimethylamino)propylamino]pentyl]phenyl]methyl]-N',N'-dimethylheptane-1,7-diamine
CID 146687225
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 59788958) is N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YRMUQHKMNOPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,9-10,12H2,1-5H3.
What are the key properties of N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 59788958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).