1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine

C31H51N3 — CID 18441404

IUPAC1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)CC(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C31H51N3/c1-20(2)26-14-12-15-27(21(3)4)30(26)32-24(9)18-34(11)19-25(10)33-31-28(22(5)6)16-13-17-29(31)23(7)8/h12-17,20-25,32-33H,18-19H2,1-11H3
InChIKeyZEWSDCFWUWAMNP-UHFFFAOYSA-N
MW465.77 g/mol
LogP8.41
Rot. Bonds12

About 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine

1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine (PubChem CID 18441404) has the molecular formula C31H51N3 and a molecular weight of 465.77 g/mol. Its IUPAC name is 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
PubChem CID18441404
Molecular FormulaC31H51N3
Molecular Weight465.77 g/mol
Exact Mass465.41
IUPAC Name1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)CC(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C31H51N3/c1-20(2)26-14-12-15-27(21(3)4)30(26)32-24(9)18-34(11)19-25(10)33-31-28(22(5)6)16-13-17-29(31)23(7)8/h12-17,20-25,32-33H,18-19H2,1-11H3
InChIKeyZEWSDCFWUWAMNP-UHFFFAOYSA-N
XLogP8.41
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.77
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
CID 130177836
N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
CID 86189291
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide
CID 167190465
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N-[bromo-[2,6-di(propan-2-yl)anilino]boranyl]-2,6-di(propan-2-yl)aniline
CID 139128549
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine (CID 18441404) is 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine is CC(CN(C)CC(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is ZEWSDCFWUWAMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3/c1-20(2)26-14-12-15-27(21(3)4)30(26)32-24(9)18-34(11)19-25(10)33-31-28(22(5)6)16-13-17-29(31)23(7)8/h12-17,20-25,32-33H,18-19H2,1-11H3.
What are the key properties of 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine?
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 465.77 g/mol, XLogP of 8.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 18441404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).