N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine

C17H30N2 — CID 115206175

IUPACN-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCCNCCNCC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-7-18-8-9-19-12-17(5,6)16-11-14(3)13(2)10-15(16)4/h10-11,18-19H,7-9,12H2,1-6H3
InChIKeyQKBXQEQFPSMKHO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.09
Rot. Bonds7

About N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine

N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115206175) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
PubChem CID115206175
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCCNCCNCC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-7-18-8-9-19-12-17(5,6)16-11-14(3)13(2)10-15(16)4/h10-11,18-19H,7-9,12H2,1-6H3
InChIKeyQKBXQEQFPSMKHO-UHFFFAOYSA-N
XLogP3.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (CID 115206175) is N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is CCNCCNCC(C)(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is QKBXQEQFPSMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-18-8-9-19-12-17(5,6)16-11-14(3)13(2)10-15(16)4/h10-11,18-19H,7-9,12H2,1-6H3.
What are the key properties of N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115206175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).