4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane

C14H21N3 — CID 69319605

IUPAC4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
SMILESCc1ccc(N2CCN3CCCC2CC3)cn1
InChIInChI=1S/C14H21N3/c1-12-4-5-14(11-15-12)17-10-9-16-7-2-3-13(17)6-8-16/h4-5,11,13H,2-3,6-10H2,1H3
InChIKeyQFJTUXBLRBWTEJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.06
Rot. Bonds1

About 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane

4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69319605) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
PubChem CID69319605
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
SMILESCc1ccc(N2CCN3CCCC2CC3)cn1
InChIInChI=1S/C14H21N3/c1-12-4-5-14(11-15-12)17-10-9-16-7-2-3-13(17)6-8-16/h4-5,11,13H,2-3,6-10H2,1H3
InChIKeyQFJTUXBLRBWTEJ-UHFFFAOYSA-N
XLogP2.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane (CID 69319605) is 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane is Cc1ccc(N2CCN3CCCC2CC3)cn1.
What is the InChIKey of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is QFJTUXBLRBWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-4-5-14(11-15-12)17-10-9-16-7-2-3-13(17)6-8-16/h4-5,11,13H,2-3,6-10H2,1H3.
What are the key properties of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane has a molecular weight of 231.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69319605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).