3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane

C14H23N3 — CID 64870204

IUPAC3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12-6-8-16-14(2,3)11-17(12)10-13-5-4-7-15-9-13/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3
InChIKeyXSZBTPPHZJEFGT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds2

About 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane

3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane (PubChem CID 64870204) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
PubChem CID64870204
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12-6-8-16-14(2,3)11-17(12)10-13-5-4-7-15-9-13/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3
InChIKeyXSZBTPPHZJEFGT-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
3,3,7-trimethyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 64869807
3,3,7-trimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 112651542
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
3,3,7-trimethyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64869207
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396
1-benzyl-3,7-dimethyl-3-phenyl-1,4-diazepane
CID 64870439
3,3,7-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane
CID 64871985
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
CID 103016739
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane?
The IUPAC name of 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane (CID 64870204) is 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane is CC1CCNC(C)(C)CN1Cc1cccnc1.
What is the InChIKey of 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane?
The InChIKey is XSZBTPPHZJEFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-6-8-16-14(2,3)11-17(12)10-13-5-4-7-15-9-13/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane?
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane has a molecular weight of 233.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64870204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).