(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine

C17H19N3 — CID 44568534

IUPAC(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine
SMILESCN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3
InChIInChI=1S/C17H19N3/c1-20-6-5-11-7-12(18)9-13-16-10(3-2-4-14(16)19)8-15(20)17(11)13/h2-4,7,9,15H,5-6,8,18-19H2,1H3/t15-/m1/s1
InChIKeySBZULQRCMCHLCL-OAHLLOKOSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds

About (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine

(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine (PubChem CID 44568534) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine.

Molecular Properties

Compound Name(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine
PubChem CID44568534
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine
SMILESCN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3
InChIInChI=1S/C17H19N3/c1-20-6-5-11-7-12(18)9-13-16-10(3-2-4-14(16)19)8-15(20)17(11)13/h2-4,7,9,15H,5-6,8,18-19H2,1H3/t15-/m1/s1
InChIKeySBZULQRCMCHLCL-OAHLLOKOSA-N
XLogP2.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nomifensine
CID 4528
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
3-Aminocyclorphan
CID 11392313
N-Benzyl-17-(cyclopropylmethyl)morphinan-3-amine
CID 44627790
17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine
CID 44627900
(R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10421583
3-Aminobutorphan
CID 11255361
N-Benzyl-17-(cyclobutylmethyl)morphinan-3-amine
CID 44627901
17-(Cyclobutylmethyl)-N-phenylmorphinan-3-amine
CID 44627903
Dihydroethidium
CID 128682
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763

Frequently Asked Questions

What is the IUPAC name of (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine?
The IUPAC name of (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine (CID 44568534) is (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine.
What is the SMILES notation for (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine?
The canonical SMILES for (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine is CN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3.
What is the InChIKey of (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine?
The InChIKey is SBZULQRCMCHLCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-6-5-11-7-12(18)9-13-16-10(3-2-4-14(16)19)8-15(20)17(11)13/h2-4,7,9,15H,5-6,8,18-19H2,1H3/t15-/m1/s1.
What are the key properties of (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine?
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine is sourced from PubChem (CID 44568534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).