3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine

C16H29N3 — CID 115120102

IUPAC3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCc1cc(C)c(C)c(CCN(C)CC(N)CN)c1C
InChIInChI=1S/C16H29N3/c1-11-8-12(2)14(4)16(13(11)3)6-7-19(5)10-15(18)9-17/h8,15H,6-7,9-10,17-18H2,1-5H3
InChIKeyWQCBOYXLMCEPTG-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.68
Rot. Bonds6

About 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine

3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine (PubChem CID 115120102) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine
PubChem CID115120102
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCc1cc(C)c(C)c(CCN(C)CC(N)CN)c1C
InChIInChI=1S/C16H29N3/c1-11-8-12(2)14(4)16(13(11)3)6-7-19(5)10-15(18)9-17/h8,15H,6-7,9-10,17-18H2,1-5H3
InChIKeyWQCBOYXLMCEPTG-UHFFFAOYSA-N
XLogP1.68
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine (CID 115120102) is 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine is Cc1cc(C)c(C)c(CCN(C)CC(N)CN)c1C.
What is the InChIKey of 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine?
The InChIKey is WQCBOYXLMCEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-8-12(2)14(4)16(13(11)3)6-7-19(5)10-15(18)9-17/h8,15H,6-7,9-10,17-18H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine?
3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine has a molecular weight of 263.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propane-1,2,3-triamine is sourced from PubChem (CID 115120102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).