2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C20H30N6 — CID 54100198

IUPAC2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(N2CCN(c3cc(N(C)C)ccc3N)CC2)c1
InChIInChI=1S/C20H30N6/c1-23(2)15-5-7-17(21)19(13-15)25-9-11-26(12-10-25)20-14-16(24(3)4)6-8-18(20)22/h5-8,13-14H,9-12,21-22H2,1-4H3
InChIKeyNAAAYUDRONLKMK-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 54100198) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID54100198
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(N2CCN(c3cc(N(C)C)ccc3N)CC2)c1
InChIInChI=1S/C20H30N6/c1-23(2)15-5-7-17(21)19(13-15)25-9-11-26(12-10-25)20-14-16(24(3)4)6-8-18(20)22/h5-8,13-14H,9-12,21-22H2,1-4H3
InChIKeyNAAAYUDRONLKMK-UHFFFAOYSA-N
XLogP2.31
TPSA65.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 54100198) is 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)c(N2CCN(c3cc(N(C)C)ccc3N)CC2)c1.
What is the InChIKey of 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is NAAAYUDRONLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-23(2)15-5-7-17(21)19(13-15)25-9-11-26(12-10-25)20-14-16(24(3)4)6-8-18(20)22/h5-8,13-14H,9-12,21-22H2,1-4H3.
What are the key properties of 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 354.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 54100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).