1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine

C16H28N2 — CID 115136256

IUPAC1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cc(C)c(CCN(C)CC(C)(C)N)c(C)c1
InChIInChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)7-8-18(6)11-16(4,5)17/h9-10H,7-8,11,17H2,1-6H3
InChIKeyISDYZNIBBLCTHE-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.82
Rot. Bonds5

About 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine

1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine (PubChem CID 115136256) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
PubChem CID115136256
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cc(C)c(CCN(C)CC(C)(C)N)c(C)c1
InChIInChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)7-8-18(6)11-16(4,5)17/h9-10H,7-8,11,17H2,1-6H3
InChIKeyISDYZNIBBLCTHE-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115261264
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
CID 115136280
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136038
N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 117044147
1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136279
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
2,2-dimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65301160
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine (CID 115136256) is 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine is Cc1cc(C)c(CCN(C)CC(C)(C)N)c(C)c1.
What is the InChIKey of 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is ISDYZNIBBLCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)7-8-18(6)11-16(4,5)17/h9-10H,7-8,11,17H2,1-6H3.
What are the key properties of 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115136256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).