1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

C17H30N2 — CID 79053319

IUPAC1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1cc(C)ccc1C)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-8-11-18-16(17(4,5)19(6)7)15-12-13(2)9-10-14(15)3/h9-10,12,16,18H,8,11H2,1-7H3
InChIKeyWBINEUCRQRHJSG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.68
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (PubChem CID 79053319) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
PubChem CID79053319
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1cc(C)ccc1C)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-8-11-18-16(17(4,5)19(6)7)15-12-13(2)9-10-14(15)3/h9-10,12,16,18H,8,11H2,1-7H3
InChIKeyWBINEUCRQRHJSG-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
1-N-ethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053417
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053836
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
1-(2,4-dimethylphenyl)-N'-methyl-N'-(2-methylbutan-2-yl)-N-propylethane-1,2-diamine
CID 63982501
1-(2-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053713
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063546
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (CID 79053319) is 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is CCCNC(c1cc(C)ccc1C)C(C)(C)N(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is WBINEUCRQRHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-11-18-16(17(4,5)19(6)7)15-12-13(2)9-10-14(15)3/h9-10,12,16,18H,8,11H2,1-7H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79053319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).