1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine

C14H21N3 — CID 657763

IUPAC1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine
SMILESCN1CCCCc2c1nc1c(c2N)CCCC1
InChIInChI=1S/C14H21N3/c1-17-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(11)17/h2-9H2,1H3,(H2,15,16)
InChIKeyOCLCPTGVDIVQKO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.32
Rot. Bonds

About 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine

1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine (PubChem CID 657763) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine.

Molecular Properties

Compound Name1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine
PubChem CID657763
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine
SMILESCN1CCCCc2c1nc1c(c2N)CCCC1
InChIInChI=1S/C14H21N3/c1-17-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(11)17/h2-9H2,1H3,(H2,15,16)
InChIKeyOCLCPTGVDIVQKO-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine?
The IUPAC name of 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine (CID 657763) is 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine.
What is the SMILES notation for 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine?
The canonical SMILES for 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine is CN1CCCCc2c1nc1c(c2N)CCCC1.
What is the InChIKey of 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine?
The InChIKey is OCLCPTGVDIVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(11)17/h2-9H2,1H3,(H2,15,16).
What are the key properties of 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine?
1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine has a molecular weight of 231.34 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5,7,8,9,10-octahydroazepino[2,3-b]quinolin-6-amine is sourced from PubChem (CID 657763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).