N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine

C16H25N3O — CID 66451386

IUPACN-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OCC2CC=CCC2C)n1
InChIInChI=1S/C16H25N3O/c1-12(2)18-9-15-8-17-10-16(19-15)20-11-14-7-5-4-6-13(14)3/h4-5,8,10,12-14,18H,6-7,9,11H2,1-3H3
InChIKeyGCGQPPHLDAQAFY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.96
Rot. Bonds6

About N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine

N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66451386) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66451386
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OCC2CC=CCC2C)n1
InChIInChI=1S/C16H25N3O/c1-12(2)18-9-15-8-17-10-16(19-15)20-11-14-7-5-4-6-13(14)3/h4-5,8,10,12-14,18H,6-7,9,11H2,1-3H3
InChIKeyGCGQPPHLDAQAFY-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine 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 N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine (CID 66451386) is N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(OCC2CC=CCC2C)n1.
What is the InChIKey of N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is GCGQPPHLDAQAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-9-15-8-17-10-16(19-15)20-11-14-7-5-4-6-13(14)3/h4-5,8,10,12-14,18H,6-7,9,11H2,1-3H3.
What are the key properties of N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66451386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).