2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine

C14H23N3 — CID 71177560

IUPAC2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine
SMILESC/C=C/C1=C2N=C(C)C(C)NC2C(C)C(N)C1
InChIInChI=1S/C14H23N3/c1-5-6-11-7-12(15)8(2)13-14(11)17-10(4)9(3)16-13/h5-6,8-9,12-13,16H,7,15H2,1-4H3/b6-5+
InChIKeyQRENVIVVMFXOMT-AATRIKPKSA-N
MW233.36 g/mol
LogP2.00
Rot. Bonds1

About 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine

2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine (PubChem CID 71177560) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine
PubChem CID71177560
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine
SMILESC/C=C/C1=C2N=C(C)C(C)NC2C(C)C(N)C1
InChIInChI=1S/C14H23N3/c1-5-6-11-7-12(15)8(2)13-14(11)17-10(4)9(3)16-13/h5-6,8-9,12-13,16H,7,15H2,1-4H3/b6-5+
InChIKeyQRENVIVVMFXOMT-AATRIKPKSA-N
XLogP2.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine?
The IUPAC name of 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine (CID 71177560) is 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine.
What is the SMILES notation for 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine?
The canonical SMILES for 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine is C/C=C/C1=C2N=C(C)C(C)NC2C(C)C(N)C1.
What is the InChIKey of 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine?
The InChIKey is QRENVIVVMFXOMT-AATRIKPKSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-6-11-7-12(15)8(2)13-14(11)17-10(4)9(3)16-13/h5-6,8-9,12-13,16H,7,15H2,1-4H3/b6-5+.
What are the key properties of 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine?
2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine has a molecular weight of 233.36 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-8-[(E)-prop-1-enyl]-3,4,4a,5,6,7-hexahydroquinoxalin-6-amine is sourced from PubChem (CID 71177560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).