1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine

C24H24N2 — CID 175248018

IUPAC1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
SMILESC1=CC=CNC=C1.NC1CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C18H17N.C6H7N/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18;1-2-4-6-7-5-3-1/h1-2,4-6,9-11,18H,3,7-8,19H2;1-7H
InChIKeyGMHQAUWWTXHQOY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.44
Rot. Bonds

About 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine

1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine (PubChem CID 175248018) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine.

Molecular Properties

Compound Name1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
PubChem CID175248018
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
SMILESC1=CC=CNC=C1.NC1CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C18H17N.C6H7N/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18;1-2-4-6-7-5-3-1/h1-2,4-6,9-11,18H,3,7-8,19H2;1-7H
InChIKeyGMHQAUWWTXHQOY-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1,2,3,6-tetrahydrochrysene
CID 174632975
(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
CID 174525414
4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
CID 174397832
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552
2-(2-ethyl-1,2,3,6-tetrahydrochrysen-1-yl)-1H-azepine
CID 174645588
1,2,3,6-tetrahydrochrysene
CID 174255950
1H-azepine;(1-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-methoxyphenyl)methanone
CID 174511731
1H-azepine;furan-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525764
1H-azepine;[3-(dichloromethyl)phenyl]-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250893
1H-azepine;pyridin-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525730
1H-azepine;(4-benzylphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175248021
1H-azepine;(2-bromo-4-methylphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250927

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine?
The IUPAC name of 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine (CID 175248018) is 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine.
What is the SMILES notation for 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine?
The canonical SMILES for 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine is C1=CC=CNC=C1.NC1CCC=c2c1ccc1c2=CCc2ccccc2-1.
What is the InChIKey of 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine?
The InChIKey is GMHQAUWWTXHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.C6H7N/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18;1-2-4-6-7-5-3-1/h1-2,4-6,9-11,18H,3,7-8,19H2;1-7H.
What are the key properties of 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine?
1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine has a molecular weight of 340.47 g/mol, XLogP of 3.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine is sourced from PubChem (CID 175248018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).