1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

C15H22N2 — CID 58494720

IUPAC1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCc1c2c(cc3c1N(C)CCC3)CCNCC2
InChIInChI=1S/C15H22N2/c1-11-14-6-8-16-7-5-12(14)10-13-4-3-9-17(2)15(11)13/h10,16H,3-9H2,1-2H3
InChIKeyHIVUEECVARYZDY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.07
Rot. Bonds

About 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (PubChem CID 58494720) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.

Molecular Properties

Compound Name1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
PubChem CID58494720
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCc1c2c(cc3c1N(C)CCC3)CCNCC2
InChIInChI=1S/C15H22N2/c1-11-14-6-8-16-7-5-12(14)10-13-4-3-9-17(2)15(11)13/h10,16H,3-9H2,1-2H3
InChIKeyHIVUEECVARYZDY-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The IUPAC name of 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (CID 58494720) is 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.
What is the SMILES notation for 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The canonical SMILES for 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is Cc1c2c(cc3c1N(C)CCC3)CCNCC2.
What is the InChIKey of 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The InChIKey is HIVUEECVARYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-14-6-8-16-7-5-12(14)10-13-4-3-9-17(2)15(11)13/h10,16H,3-9H2,1-2H3.
What are the key properties of 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine has a molecular weight of 230.35 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is sourced from PubChem (CID 58494720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).