2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

C16H28N2 — CID 115254803

IUPAC2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CNC)CNc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H28N2/c1-6-14(10-17-5)11-18-16-9-15(12(2)3)8-7-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3
InChIKeyOAALMNOXXJMOBW-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.78
Rot. Bonds7

About 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 115254803) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID115254803
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CNC)CNc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H28N2/c1-6-14(10-17-5)11-18-16-9-15(12(2)3)8-7-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3
InChIKeyOAALMNOXXJMOBW-UHFFFAOYSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
CID 115233811
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205162
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (CID 115254803) is 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is CCC(CNC)CNc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is OAALMNOXXJMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-14(10-17-5)11-18-16-9-15(12(2)3)8-7-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3.
What are the key properties of 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 115254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).