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

C17H30N2 — CID 115222275

IUPAC1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-13-10-15(16(2,3)4)9-8-14(13)11-19-12-17(5,6)18-7/h8-10,18-19H,11-12H2,1-7H3
InChIKeyHBFWUBYZSGDSCF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.38
Rot. Bonds5

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

1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222275) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222275
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-13-10-15(16(2,3)4)9-8-14(13)11-19-12-17(5,6)18-7/h8-10,18-19H,11-12H2,1-7H3
InChIKeyHBFWUBYZSGDSCF-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
1-N-[(2,4-dichlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222295
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65241400
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222255
1-N-[(4-tert-butyl-2-methylphenyl)methyl]pentane-1,4-diamine
CID 115203855
2-[[(4-tert-butyl-2-methylphenyl)methylamino]methyl]butanenitrile
CID 115253828
1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222290
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222275) is 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HBFWUBYZSGDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-10-15(16(2,3)4)9-8-14(13)11-19-12-17(5,6)18-7/h8-10,18-19H,11-12H2,1-7H3.
What are the key properties of 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).