2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C15H23N3 — CID 69027879

IUPAC2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC1=CC2=C(CC=N1)CCC(N1CCCCCC1)N2
InChIInChI=1S/C15H23N3/c1-2-4-12-18(11-3-1)15-6-5-13-7-9-16-10-8-14(13)17-15/h8-10,15,17H,1-7,11-12H2
InChIKeyDZBREELRSVPWPZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.81
Rot. Bonds1

About 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69027879) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69027879
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC1=CC2=C(CC=N1)CCC(N1CCCCCC1)N2
InChIInChI=1S/C15H23N3/c1-2-4-12-18(11-3-1)15-6-5-13-7-9-16-10-8-14(13)17-15/h8-10,15,17H,1-7,11-12H2
InChIKeyDZBREELRSVPWPZ-UHFFFAOYSA-N
XLogP2.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69027879) is 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is C1=CC2=C(CC=N1)CCC(N1CCCCCC1)N2.
What is the InChIKey of 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is DZBREELRSVPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-4-12-18(11-3-1)15-6-5-13-7-9-16-10-8-14(13)17-15/h8-10,15,17H,1-7,11-12H2.
What are the key properties of 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 245.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69027879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).