(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C17H17N3 — CID 67561140

IUPAC(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3C[C@H]1CN2
InChIInChI=1S/C17H17N3/c18-17(19)11-5-6-15-14(8-11)16-12(9-20-15)7-10-3-1-2-4-13(10)16/h1-6,8,12,16,20H,7,9H2,(H3,18,19)/t12-,16?/m0/s1
InChIKeyJCVQRUPIKRCJNO-HKALDPMFSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds1

About (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 67561140) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID67561140
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3C[C@H]1CN2
InChIInChI=1S/C17H17N3/c18-17(19)11-5-6-15-14(8-11)16-12(9-20-15)7-10-3-1-2-4-13(10)16/h1-6,8,12,16,20H,7,9H2,(H3,18,19)/t12-,16?/m0/s1
InChIKeyJCVQRUPIKRCJNO-HKALDPMFSA-N
XLogP2.70
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 67561140) is (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3C[C@H]1CN2.
What is the InChIKey of (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is JCVQRUPIKRCJNO-HKALDPMFSA-N. The full InChI is InChI=1S/C17H17N3/c18-17(19)11-5-6-15-14(8-11)16-12(9-20-15)7-10-3-1-2-4-13(10)16/h1-6,8,12,16,20H,7,9H2,(H3,18,19)/t12-,16?/m0/s1.
What are the key properties of (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 67561140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).