1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine

C32H54N4 — CID 126713383

IUPAC1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
SMILESCC(C)N(CCN(c1ccc(N(C(C)C)C(C)C)cc1)C(C)C)c1ccc(N(C(C)C)C(C)C)cc1
InChIInChI=1S/C32H54N4/c1-23(2)33(29-13-17-31(18-14-29)35(25(5)6)26(7)8)21-22-34(24(3)4)30-15-19-32(20-16-30)36(27(9)10)28(11)12/h13-20,23-28H,21-22H2,1-12H3
InChIKeyJXNWCKGGQWAJGI-UHFFFAOYSA-N
MW494.81 g/mol
LogP8.06
Rot. Bonds13

About 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine

1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine (PubChem CID 126713383) has the molecular formula C32H54N4 and a molecular weight of 494.81 g/mol. Its IUPAC name is 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
PubChem CID126713383
Molecular FormulaC32H54N4
Molecular Weight494.81 g/mol
Exact Mass494.43
IUPAC Name1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
SMILESCC(C)N(CCN(c1ccc(N(C(C)C)C(C)C)cc1)C(C)C)c1ccc(N(C(C)C)C(C)C)cc1
InChIInChI=1S/C32H54N4/c1-23(2)33(29-13-17-31(18-14-29)35(25(5)6)26(7)8)21-22-34(24(3)4)30-15-19-32(20-16-30)36(27(9)10)28(11)12/h13-20,23-28H,21-22H2,1-12H3
InChIKeyJXNWCKGGQWAJGI-UHFFFAOYSA-N
XLogP8.06
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine with MolForge

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Related Compounds

4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 63783737
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline
CID 102434399
4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
N,N-di(propan-2-yl)aniline;ethanamine
CID 175553373
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 43269261
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine (CID 126713383) is 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine is CC(C)N(CCN(c1ccc(N(C(C)C)C(C)C)cc1)C(C)C)c1ccc(N(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine?
The InChIKey is JXNWCKGGQWAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N4/c1-23(2)33(29-13-17-31(18-14-29)35(25(5)6)26(7)8)21-22-34(24(3)4)30-15-19-32(20-16-30)36(27(9)10)28(11)12/h13-20,23-28H,21-22H2,1-12H3.
What are the key properties of 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine?
1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine has a molecular weight of 494.81 g/mol, XLogP of 8.06, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 126713383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).