1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine

C16H28N2 — CID 115133071

IUPAC1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-13-9-7-8-10-14(13)15(2,3)11-18-16(4,5)12-17-6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyCEAFIYANYKILRX-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.86
Rot. Bonds6

About 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine

1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine (PubChem CID 115133071) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
PubChem CID115133071
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-13-9-7-8-10-14(13)15(2,3)11-18-16(4,5)12-17-6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyCEAFIYANYKILRX-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
3-methyl-3-[[2-methyl-2-(2-methylphenyl)propyl]amino]butan-1-ol
CID 115134383
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
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 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine (CID 115133071) is 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine is CNCC(C)(C)NCC(C)(C)c1ccccc1C.
What is the InChIKey of 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine?
The InChIKey is CEAFIYANYKILRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-9-7-8-10-14(13)15(2,3)11-18-16(4,5)12-17-6/h7-10,17-18H,11-12H2,1-6H3.
What are the key properties of 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine?
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine is sourced from PubChem (CID 115133071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).