1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine

C15H19N3 — CID 139472620

IUPAC1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine
SMILESC=C(NC(C)CC1=CC=CCC1)c1cnccn1
InChIInChI=1S/C15H19N3/c1-12(10-14-6-4-3-5-7-14)18-13(2)15-11-16-8-9-17-15/h3-4,6,8-9,11-12,18H,2,5,7,10H2,1H3
InChIKeyDVPWFARKRVZSES-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.09
Rot. Bonds5

About 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine

1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine (PubChem CID 139472620) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine
PubChem CID139472620
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine
SMILESC=C(NC(C)CC1=CC=CCC1)c1cnccn1
InChIInChI=1S/C15H19N3/c1-12(10-14-6-4-3-5-7-14)18-13(2)15-11-16-8-9-17-15/h3-4,6,8-9,11-12,18H,2,5,7,10H2,1H3
InChIKeyDVPWFARKRVZSES-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine (CID 139472620) is 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine is C=C(NC(C)CC1=CC=CCC1)c1cnccn1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine?
The InChIKey is DVPWFARKRVZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(10-14-6-4-3-5-7-14)18-13(2)15-11-16-8-9-17-15/h3-4,6,8-9,11-12,18H,2,5,7,10H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine?
1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-(1-pyrazin-2-ylethenyl)propan-2-amine is sourced from PubChem (CID 139472620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).