N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine

C15H18N4 — CID 107489358

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
SMILESC1=C(CCNc2cnnc3ccccc23)CCNC1
InChIInChI=1S/C15H18N4/c1-2-4-14-13(3-1)15(11-18-19-14)17-10-7-12-5-8-16-9-6-12/h1-5,11,16H,6-10H2,(H,17,19)
InChIKeyMCZSUABOZWXBKG-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine (PubChem CID 107489358) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
PubChem CID107489358
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
SMILESC1=C(CCNc2cnnc3ccccc23)CCNC1
InChIInChI=1S/C15H18N4/c1-2-4-14-13(3-1)15(11-18-19-14)17-10-7-12-5-8-16-9-6-12/h1-5,11,16H,6-10H2,(H,17,19)
InChIKeyMCZSUABOZWXBKG-UHFFFAOYSA-N
XLogP2.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine (CID 107489358) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine is C1=C(CCNc2cnnc3ccccc23)CCNC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine?
The InChIKey is MCZSUABOZWXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-4-14-13(3-1)15(11-18-19-14)17-10-7-12-5-8-16-9-6-12/h1-5,11,16H,6-10H2,(H,17,19).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 107489358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).