8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen

C11H17N — CID 143099737

IUPAC8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
SMILESCc1ccc2c(c1)NCCCC2.[H][H]
InChIInChI=1S/C11H15N.H2/c1-9-5-6-10-4-2-3-7-12-11(10)8-9;/h5-6,8,12H,2-4,7H2,1H3;1H
InChIKeyPIFGLDUEFXLMPQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds

About 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen

8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen (PubChem CID 143099737) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen.

Molecular Properties

Compound Name8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
PubChem CID143099737
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
SMILESCc1ccc2c(c1)NCCCC2.[H][H]
InChIInChI=1S/C11H15N.H2/c1-9-5-6-10-4-2-3-7-12-11(10)8-9;/h5-6,8,12H,2-4,7H2,1H3;1H
InChIKeyPIFGLDUEFXLMPQ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen?
The IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen (CID 143099737) is 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen.
What is the SMILES notation for 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen?
The canonical SMILES for 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen is Cc1ccc2c(c1)NCCCC2.[H][H].
What is the InChIKey of 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen?
The InChIKey is PIFGLDUEFXLMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.H2/c1-9-5-6-10-4-2-3-7-12-11(10)8-9;/h5-6,8,12H,2-4,7H2,1H3;1H.
What are the key properties of 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen?
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen has a molecular weight of 163.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen is sourced from PubChem (CID 143099737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).