N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine

C13H23N3 — CID 173103592

IUPACN,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine
SMILESCN1CCN(C2(N(C)C)C=CCC=C2)CC1
InChIInChI=1S/C13H23N3/c1-14(2)13(7-5-4-6-8-13)16-11-9-15(3)10-12-16/h5-8H,4,9-12H2,1-3H3
InChIKeyRARMXTWFUCOTBN-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.01
Rot. Bonds2

About N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine

N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine (PubChem CID 173103592) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine
PubChem CID173103592
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine
SMILESCN1CCN(C2(N(C)C)C=CCC=C2)CC1
InChIInChI=1S/C13H23N3/c1-14(2)13(7-5-4-6-8-13)16-11-9-15(3)10-12-16/h5-8H,4,9-12H2,1-3H3
InChIKeyRARMXTWFUCOTBN-UHFFFAOYSA-N
XLogP1.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine (CID 173103592) is N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine is CN1CCN(C2(N(C)C)C=CCC=C2)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine?
The InChIKey is RARMXTWFUCOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14(2)13(7-5-4-6-8-13)16-11-9-15(3)10-12-16/h5-8H,4,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine?
N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 173103592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).