N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C15H26N2 — CID 115252770

IUPACN,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)c1ccccc1C)C(C)C
InChIInChI=1S/C15H26N2/c1-12(2)14(10-16-4)11-17(5)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11H2,1-5H3
InChIKeyIYFBCUHELOBCCI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds6

About N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252770) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252770
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)c1ccccc1C)C(C)C
InChIInChI=1S/C15H26N2/c1-12(2)14(10-16-4)11-17(5)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11H2,1-5H3
InChIKeyIYFBCUHELOBCCI-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252758
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63469119
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252887
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
N,2-dimethyl-N-propylaniline
CID 69435269
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 115463927
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
CID 65473235

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 115252770) is N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)c1ccccc1C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is IYFBCUHELOBCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)14(10-16-4)11-17(5)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11H2,1-5H3.
What are the key properties of N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).