2,3,4,5,6,7-hexahydro-1H-1-benzazepine

C10H15N — CID 66872411

IUPAC2,3,4,5,6,7-hexahydro-1H-1-benzazepine
SMILESC1=CC2=C(CC1)CCCCN2
InChIInChI=1S/C10H15N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h2,7,11H,1,3-6,8H2
InChIKeyIOAPCACGERKBHN-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.36
Rot. Bonds

About 2,3,4,5,6,7-hexahydro-1H-1-benzazepine

2,3,4,5,6,7-hexahydro-1H-1-benzazepine (PubChem CID 66872411) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1H-1-benzazepine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1H-1-benzazepine
PubChem CID66872411
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,3,4,5,6,7-hexahydro-1H-1-benzazepine
SMILESC1=CC2=C(CC1)CCCCN2
InChIInChI=1S/C10H15N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h2,7,11H,1,3-6,8H2
InChIKeyIOAPCACGERKBHN-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1H-1-benzazepine?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1H-1-benzazepine (CID 66872411) is 2,3,4,5,6,7-hexahydro-1H-1-benzazepine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1H-1-benzazepine?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1H-1-benzazepine is C1=CC2=C(CC1)CCCCN2.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1H-1-benzazepine?
The InChIKey is IOAPCACGERKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h2,7,11H,1,3-6,8H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1H-1-benzazepine?
2,3,4,5,6,7-hexahydro-1H-1-benzazepine has a molecular weight of 149.24 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1H-1-benzazepine is sourced from PubChem (CID 66872411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).