4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H26N4 — CID 105365076

IUPAC4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(Cc1ccncc1)C1(CN)CCN2CCC1C2
InChIInChI=1S/C16H26N4/c1-2-20(11-14-3-7-18-8-4-14)16(13-17)6-10-19-9-5-15(16)12-19/h3-4,7-8,15H,2,5-6,9-13,17H2,1H3
InChIKeyZXKVQPYHOHBWDU-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.33
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365076) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365076
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(Cc1ccncc1)C1(CN)CCN2CCC1C2
InChIInChI=1S/C16H26N4/c1-2-20(11-14-3-7-18-8-4-14)16(13-17)6-10-19-9-5-15(16)12-19/h3-4,7-8,15H,2,5-6,9-13,17H2,1H3
InChIKeyZXKVQPYHOHBWDU-UHFFFAOYSA-N
XLogP1.33
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365076) is 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is CCN(Cc1ccncc1)C1(CN)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is ZXKVQPYHOHBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-20(11-14-3-7-18-8-4-14)16(13-17)6-10-19-9-5-15(16)12-19/h3-4,7-8,15H,2,5-6,9-13,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).