2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine

C17H30N2 — CID 115133058

IUPAC2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C17H30N2/c1-13-8-9-14(2)15(10-13)16(3,4)11-19-17(5,6)12-18-7/h8-10,18-19H,11-12H2,1-7H3
InChIKeyFXHHZWZVYPTSCS-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.17
Rot. Bonds6

About 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115133058) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115133058
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C17H30N2/c1-13-8-9-14(2)15(10-13)16(3,4)11-19-17(5,6)12-18-7/h8-10,18-19H,11-12H2,1-7H3
InChIKeyFXHHZWZVYPTSCS-UHFFFAOYSA-N
XLogP3.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115133058) is 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCC(C)(C)c1cc(C)ccc1C.
What is the InChIKey of 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is FXHHZWZVYPTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-8-9-14(2)15(10-13)16(3,4)11-19-17(5,6)12-18-7/h8-10,18-19H,11-12H2,1-7H3.
What are the key properties of 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115133058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).