8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C20H26N4 — CID 18414542

IUPAC8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNc1cccc(-c2ccc(CCN3C4CCC3CC(N)C4)cc2)n1
InChIInChI=1S/C20H26N4/c21-16-12-17-8-9-18(13-16)24(17)11-10-14-4-6-15(7-5-14)19-2-1-3-20(22)23-19/h1-7,16-18H,8-13,21H2,(H2,22,23)
InChIKeyTWJHFSYMBVCUGP-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.83
Rot. Bonds4

About 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 18414542) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID18414542
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNc1cccc(-c2ccc(CCN3C4CCC3CC(N)C4)cc2)n1
InChIInChI=1S/C20H26N4/c21-16-12-17-8-9-18(13-16)24(17)11-10-14-4-6-15(7-5-14)19-2-1-3-20(22)23-19/h1-7,16-18H,8-13,21H2,(H2,22,23)
InChIKeyTWJHFSYMBVCUGP-UHFFFAOYSA-N
XLogP2.83
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 18414542) is 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is Nc1cccc(-c2ccc(CCN3C4CCC3CC(N)C4)cc2)n1.
What is the InChIKey of 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is TWJHFSYMBVCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c21-16-12-17-8-9-18(13-16)24(17)11-10-14-4-6-15(7-5-14)19-2-1-3-20(22)23-19/h1-7,16-18H,8-13,21H2,(H2,22,23).
What are the key properties of 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 322.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 18414542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).