5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine

C17H18N2 — CID 70225724

IUPAC5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine
SMILESC=C1NC2=C(Cc3c(N)cccc32)C2=C1CCCC2
InChIInChI=1S/C17H18N2/c1-10-11-5-2-3-6-12(11)15-9-14-13(17(15)19-10)7-4-8-16(14)18/h4,7-8,19H,1-3,5-6,9,18H2
InChIKeyNVJLBSFIKYDCJP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.52
Rot. Bonds

About 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine

5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine (PubChem CID 70225724) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine.

Molecular Properties

Compound Name5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine
PubChem CID70225724
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine
SMILESC=C1NC2=C(Cc3c(N)cccc32)C2=C1CCCC2
InChIInChI=1S/C17H18N2/c1-10-11-5-2-3-6-12(11)15-9-14-13(17(15)19-10)7-4-8-16(14)18/h4,7-8,19H,1-3,5-6,9,18H2
InChIKeyNVJLBSFIKYDCJP-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
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 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine?
The IUPAC name of 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine (CID 70225724) is 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine.
What is the SMILES notation for 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine?
The canonical SMILES for 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine is C=C1NC2=C(Cc3c(N)cccc32)C2=C1CCCC2.
What is the InChIKey of 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine?
The InChIKey is NVJLBSFIKYDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-10-11-5-2-3-6-12(11)15-9-14-13(17(15)19-10)7-4-8-16(14)18/h4,7-8,19H,1-3,5-6,9,18H2.
What are the key properties of 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine?
5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine has a molecular weight of 250.34 g/mol, XLogP of 3.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-10-amine is sourced from PubChem (CID 70225724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).