2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane

C14H23N3 — CID 117014799

IUPAC2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
SMILESCC1(C)CCNCCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-14(2)6-9-15-8-4-10-17(14)12-13-5-3-7-16-11-13/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3
InChIKeyDFDFRQAHYVDUSO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.05
Rot. Bonds2

About 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane

2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane (PubChem CID 117014799) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane.

Molecular Properties

Compound Name2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
PubChem CID117014799
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
SMILESCC1(C)CCNCCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-14(2)6-9-15-8-4-10-17(14)12-13-5-3-7-16-11-13/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3
InChIKeyDFDFRQAHYVDUSO-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
N,6,6-trimethyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 117021082
2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
CID 64845242
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
CID 117019703
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane?
The IUPAC name of 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane (CID 117014799) is 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane.
What is the SMILES notation for 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane?
The canonical SMILES for 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane is CC1(C)CCNCCCN1Cc1cccnc1.
What is the InChIKey of 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane?
The InChIKey is DFDFRQAHYVDUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)6-9-15-8-4-10-17(14)12-13-5-3-7-16-11-13/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane?
2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane has a molecular weight of 233.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane is sourced from PubChem (CID 117014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).