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

C16H28N2 — CID 79646619

IUPACN'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(C)N(C)CC(C)(C)CN)c(C)c1
InChIInChI=1S/C16H28N2/c1-12-7-8-15(13(2)9-12)14(3)18(6)11-16(4,5)10-17/h7-9,14H,10-11,17H2,1-6H3
InChIKeyUKRJZDZLCITMGS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.28
Rot. Bonds5

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

N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79646619) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79646619
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(C)N(C)CC(C)(C)CN)c(C)c1
InChIInChI=1S/C16H28N2/c1-12-7-8-15(13(2)9-12)14(3)18(6)11-16(4,5)10-17/h7-9,14H,10-11,17H2,1-6H3
InChIKeyUKRJZDZLCITMGS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093
N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928811
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]-4-methylphenol
CID 79660774
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
N'-[1-(4-bromothiophen-2-yl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 107355042
3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
CID 137390997
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79646619) is N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine is Cc1ccc(C(C)N(C)CC(C)(C)CN)c(C)c1.
What is the InChIKey of N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is UKRJZDZLCITMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-7-8-15(13(2)9-12)14(3)18(6)11-16(4,5)10-17/h7-9,14H,10-11,17H2,1-6H3.
What are the key properties of N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79646619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).