(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine

C19H22N2 — CID 53362719

IUPAC(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3
InChIInChI=1S/C19H22N2/c1-2-10-21-11-9-13-5-3-7-15-18-14(6-4-8-16(18)20)12-17(21)19(13)15/h3-8,17H,2,9-12,20H2,1H3/t17-/m1/s1
InChIKeyLKVRAIZDZUXRII-QGZVFWFLSA-N
MW278.40 g/mol
LogP3.80
Rot. Bonds2

About (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine

(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine (PubChem CID 53362719) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine.

Molecular Properties

Compound Name(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
PubChem CID53362719
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3
InChIInChI=1S/C19H22N2/c1-2-10-21-11-9-13-5-3-7-15-18-14(6-4-8-16(18)20)12-17(21)19(13)15/h3-8,17H,2,9-12,20H2,1H3/t17-/m1/s1
InChIKeyLKVRAIZDZUXRII-QGZVFWFLSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The IUPAC name of (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine (CID 53362719) is (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine.
What is the SMILES notation for (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The canonical SMILES for (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine is CCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3.
What is the InChIKey of (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The InChIKey is LKVRAIZDZUXRII-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-10-21-11-9-13-5-3-7-15-18-14(6-4-8-16(18)20)12-17(21)19(13)15/h3-8,17H,2,9-12,20H2,1H3/t17-/m1/s1.
What are the key properties of (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine has a molecular weight of 278.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine is sourced from PubChem (CID 53362719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).