3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine

C16H29N3 — CID 115120224

IUPAC3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
SMILESCc1ccc(C(C)(C)CNCC(N)CN)c(C)c1C
InChIInChI=1S/C16H29N3/c1-11-6-7-15(13(3)12(11)2)16(4,5)10-19-9-14(18)8-17/h6-7,14,19H,8-10,17-18H2,1-5H3
InChIKeyMZEGLSJUYNBJBD-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.77
Rot. Bonds6

About 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine

3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine (PubChem CID 115120224) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
PubChem CID115120224
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
SMILESCc1ccc(C(C)(C)CNCC(N)CN)c(C)c1C
InChIInChI=1S/C16H29N3/c1-11-6-7-15(13(3)12(11)2)16(4,5)10-19-9-14(18)8-17/h6-7,14,19H,8-10,17-18H2,1-5H3
InChIKeyMZEGLSJUYNBJBD-UHFFFAOYSA-N
XLogP1.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
CID 116962225
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
3-N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120194
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine (CID 115120224) is 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine is Cc1ccc(C(C)(C)CNCC(N)CN)c(C)c1C.
What is the InChIKey of 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine?
The InChIKey is MZEGLSJUYNBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-6-7-15(13(3)12(11)2)16(4,5)10-19-9-14(18)8-17/h6-7,14,19H,8-10,17-18H2,1-5H3.
What are the key properties of 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine?
3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine has a molecular weight of 263.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine is sourced from PubChem (CID 115120224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).