3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine

C14H22N4 — CID 133475752

IUPAC3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
SMILESCN(C)c1nccnc1N(C)CC1CC=CCC1
InChIInChI=1S/C14H22N4/c1-17(2)13-14(16-10-9-15-13)18(3)11-12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3
InChIKeySMXDSWDIFAAAFZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds4

About 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine

3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine (PubChem CID 133475752) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
PubChem CID133475752
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
SMILESCN(C)c1nccnc1N(C)CC1CC=CCC1
InChIInChI=1S/C14H22N4/c1-17(2)13-14(16-10-9-15-13)18(3)11-12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3
InChIKeySMXDSWDIFAAAFZ-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine?
The IUPAC name of 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine (CID 133475752) is 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine is CN(C)c1nccnc1N(C)CC1CC=CCC1.
What is the InChIKey of 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine?
The InChIKey is SMXDSWDIFAAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(2)13-14(16-10-9-15-13)18(3)11-12-7-5-4-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3.
What are the key properties of 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine?
3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine is sourced from PubChem (CID 133475752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).