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

C14H23N3 — CID 64942804

IUPAC3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
SMILESCC1(C)CN(CCc2ccccn2)CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)12-17(10-5-9-16-14)11-7-13-6-3-4-8-15-13/h3-4,6,8,16H,5,7,9-12H2,1-2H3
InChIKeyDFMZXVMLJWYSPK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds3

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

3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane (PubChem CID 64942804) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
PubChem CID64942804
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
SMILESCC1(C)CN(CCc2ccccn2)CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)12-17(10-5-9-16-14)11-7-13-6-3-4-8-15-13/h3-4,6,8,16H,5,7,9-12H2,1-2H3
InChIKeyDFMZXVMLJWYSPK-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-methyl-3-phenyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64923711
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
3,3-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950592
3,3-dimethyl-1-[(2-methylpyrimidin-4-yl)methyl]-1,4-diazepane
CID 64948748
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64869288
1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 82745597
3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409
1-(2-pyridin-2-ylethyl)diazinane
CID 130826026
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The IUPAC name of 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane (CID 64942804) is 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane is CC1(C)CN(CCc2ccccn2)CCCN1.
What is the InChIKey of 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The InChIKey is DFMZXVMLJWYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)12-17(10-5-9-16-14)11-7-13-6-3-4-8-15-13/h3-4,6,8,16H,5,7,9-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane?
3,3-dimethyl-1-(2-pyridin-2-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-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 64942804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).