N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

C17H30N2 — CID 116960352

IUPACN,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-11(2)16(10-18-6)17(19-7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-19H,10H2,1-7H3
InChIKeyXTRPUKCZDFERTR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.36
Rot. Bonds6

About N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (PubChem CID 116960352) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
PubChem CID116960352
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-11(2)16(10-18-6)17(19-7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-19H,10H2,1-7H3
InChIKeyXTRPUKCZDFERTR-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960370
2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 79492540
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960127
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358
1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960365
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (CID 116960352) is N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is CNCC(C(C)C)C(NC)c1cc(C)c(C)cc1C.
What is the InChIKey of N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The InChIKey is XTRPUKCZDFERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-11(2)16(10-18-6)17(19-7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-19H,10H2,1-7H3.
What are the key properties of N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).