3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane

C14H23N3 — CID 64943019

IUPAC3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
SMILESCC1(C)CN(CCc2cccnc2)CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)12-17(9-4-8-16-14)10-6-13-5-3-7-15-11-13/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3
InChIKeyDBNJRXMXBHJKMK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds3

About 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane

3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane (PubChem CID 64943019) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
PubChem CID64943019
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
SMILESCC1(C)CN(CCc2cccnc2)CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)12-17(9-4-8-16-14)10-6-13-5-3-7-15-11-13/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3
InChIKeyDBNJRXMXBHJKMK-UHFFFAOYSA-N
XLogP1.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
CID 134406396
3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 64942804
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64869288
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
CID 64925974
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870204
3,3-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950592

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane?
The IUPAC name of 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane (CID 64943019) is 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane.
What is the SMILES notation for 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane?
The canonical SMILES for 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane is CC1(C)CN(CCc2cccnc2)CCCN1.
What is the InChIKey of 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane?
The InChIKey is DBNJRXMXBHJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)12-17(9-4-8-16-14)10-6-13-5-3-7-15-11-13/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane?
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane has a molecular weight of 233.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane is sourced from PubChem (CID 64943019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).