N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine

C32H52N4 — CID 167112032

About N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine

N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 167112032) has the molecular formula C32H52N4 and a molecular weight of 492.80 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine
• PubChem CID: 167112032
• Molecular Formula: C32H52N4
• Molecular Weight: 492.80 g/mol
• Exact Mass: 492.42
• IUPAC Name: N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine
• SMILES: C[C@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@@H](CCN(C)CCN(C)c2ccc(C(C)(C)C)cc2)N1C
• InChI: InChI=1S/C32H52N4/c1-25-23-36(29-17-13-27(14-18-29)32(5,6)7)24-30(35(25)10)19-20-33(8)21-22-34(9)28-15-11-26(12-16-28)31(2,3)4/h11-18,25,30H,19-24H2,1-10H3/t25-,30+/m0/s1
• InChIKey: SWTOYDZLBRRQGH-SETSBSEESA-N
• XLogP: 6.25
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.80
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine?

The IUPAC name of N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine (CID 167112032) is N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine?

The canonical SMILES for N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine is C[C@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@@H](CCN(C)CCN(C)c2ccc(C(C)(C)C)cc2)N1C.

What is the InChIKey of N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine?

The InChIKey is SWTOYDZLBRRQGH-SETSBSEESA-N. The full InChI is InChI=1S/C32H52N4/c1-25-23-36(29-17-13-27(14-18-29)32(5,6)7)24-30(35(25)10)19-20-33(8)21-22-34(9)28-15-11-26(12-16-28)31(2,3)4/h11-18,25,30H,19-24H2,1-10H3/t25-,30+/m0/s1.

What are the key properties of N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine?

N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 492.80 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-tert-butylphenyl)-N-[2-[(2R,6S)-4-(4-tert-butylphenyl)-1,6-dimethylpiperazin-2-yl]ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 167112032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).