N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine

C16H28N2 — CID 62260646

IUPACN'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-8-13(2)10-14(15)3/h8-10,17H,7,11-12H2,1-6H3
InChIKeyCBSXWODCNZVKOD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds6

About N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine

N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62260646) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62260646
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-8-13(2)10-14(15)3/h8-10,17H,7,11-12H2,1-6H3
InChIKeyCBSXWODCNZVKOD-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62261002
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
CID 62436909
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
CID 62003055

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine (CID 62260646) is N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine is CCNCC(C)(C)CN(C)c1ccc(C)cc1C.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is CBSXWODCNZVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-8-13(2)10-14(15)3/h8-10,17H,7,11-12H2,1-6H3.
What are the key properties of N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62260646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).