4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine

C16H24N2 — CID 115008222

IUPAC4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine
SMILESCc1cccc2c1N(C)C1CCCCCC1C2N
InChIInChI=1S/C16H24N2/c1-11-7-6-9-13-15(17)12-8-4-3-5-10-14(12)18(2)16(11)13/h6-7,9,12,14-15H,3-5,8,10,17H2,1-2H3
InChIKeyQXGSQUXUKVJZJI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.39
Rot. Bonds

About 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine

4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine (PubChem CID 115008222) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine
PubChem CID115008222
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine
SMILESCc1cccc2c1N(C)C1CCCCCC1C2N
InChIInChI=1S/C16H24N2/c1-11-7-6-9-13-15(17)12-8-4-3-5-10-14(12)18(2)16(11)13/h6-7,9,12,14-15H,3-5,8,10,17H2,1-2H3
InChIKeyQXGSQUXUKVJZJI-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine?
The IUPAC name of 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine (CID 115008222) is 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine?
The canonical SMILES for 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine is Cc1cccc2c1N(C)C1CCCCCC1C2N.
What is the InChIKey of 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine?
The InChIKey is QXGSQUXUKVJZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-7-6-9-13-15(17)12-8-4-3-5-10-14(12)18(2)16(11)13/h6-7,9,12,14-15H,3-5,8,10,17H2,1-2H3.
What are the key properties of 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine?
4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine has a molecular weight of 244.38 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 115008222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).