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

C15H23N3 — CID 79043351

IUPAC3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
SMILESCc1ncccc1N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H23N3/c1-12-14(5-3-8-16-12)18-10-4-9-17-15(2,11-18)13-6-7-13/h3,5,8,13,17H,4,6-7,9-11H2,1-2H3
InChIKeySZQBFCKLZRVDLF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.36
Rot. Bonds2

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

3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane (PubChem CID 79043351) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
PubChem CID79043351
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
SMILESCc1ncccc1N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H23N3/c1-12-14(5-3-8-16-12)18-10-4-9-17-15(2,11-18)13-6-7-13/h3,5,8,13,17H,4,6-7,9-11H2,1-2H3
InChIKeySZQBFCKLZRVDLF-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane (CID 79043351) is 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane is Cc1ncccc1N1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane?
The InChIKey is SZQBFCKLZRVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-14(5-3-8-16-12)18-10-4-9-17-15(2,11-18)13-6-7-13/h3,5,8,13,17H,4,6-7,9-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane?
3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane has a molecular weight of 245.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 79043351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).