1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine

C16H28N2 — CID 115132834

IUPAC1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)Cc1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-8-14(3)15(9-13(12)2)10-18(7)16(4,5)11-17-6/h8-9,17H,10-11H2,1-7H3
InChIKeyGVYNQRZSJLIJPD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.04
Rot. Bonds5

About 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine

1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine (PubChem CID 115132834) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
PubChem CID115132834
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)Cc1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-8-14(3)15(9-13(12)2)10-18(7)16(4,5)11-17-6/h8-9,17H,10-11H2,1-7H3
InChIKeyGVYNQRZSJLIJPD-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
CID 115133027
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
N,2,2-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204508
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132808
5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115132846
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
1-N,2-N,2-trimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 115132514
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine (CID 115132834) is 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine is CNCC(C)(C)N(C)Cc1cc(C)c(C)cc1C.
What is the InChIKey of 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The InChIKey is GVYNQRZSJLIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-8-14(3)15(9-13(12)2)10-18(7)16(4,5)11-17-6/h8-9,17H,10-11H2,1-7H3.
What are the key properties of 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115132834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).