1-(3-methyl-2-pyridinyl)-1,4-diazepane

C11H17N3 — CID 16740663

IUPAC1-(3-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccnc1N1CCCNCC1
InChIInChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
InChIKeyATUSBQCZIPECGZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.19
Rot. Bonds1

About 1-(3-methyl-2-pyridinyl)-1,4-diazepane

1-(3-methyl-2-pyridinyl)-1,4-diazepane (PubChem CID 16740663) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-1,4-diazepane
PubChem CID16740663
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(3-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccnc1N1CCCNCC1
InChIInChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
InChIKeyATUSBQCZIPECGZ-UHFFFAOYSA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-1,4-diazepane (CID 16740663) is 1-(3-methyl-2-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-1,4-diazepane is Cc1cccnc1N1CCCNCC1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-1,4-diazepane?
The InChIKey is ATUSBQCZIPECGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-1,4-diazepane?
1-(3-methyl-2-pyridinyl)-1,4-diazepane has a molecular weight of 191.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 16740663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).