N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine

C20H22N2 — CID 1238956

IUPACN-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
SMILESc1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1
InChIInChI=1S/C20H22N2/c1-3-10-17(11-4-1)21-19-18-12-6-5-9-16(18)15-20(22-19)13-7-2-8-14-20/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,22)
InChIKeyUJZIEXWRXYSZES-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.80
Rot. Bonds1

About N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine

N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine (PubChem CID 1238956) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine.

Molecular Properties

Compound NameN-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
PubChem CID1238956
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
SMILESc1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1
InChIInChI=1S/C20H22N2/c1-3-10-17(11-4-1)21-19-18-12-6-5-9-16(18)15-20(22-19)13-7-2-8-14-20/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,22)
InChIKeyUJZIEXWRXYSZES-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine?
The IUPAC name of N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine (CID 1238956) is N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine.
What is the SMILES notation for N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine?
The canonical SMILES for N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine is c1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1.
What is the InChIKey of N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine?
The InChIKey is UJZIEXWRXYSZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-10-17(11-4-1)21-19-18-12-6-5-9-16(18)15-20(22-19)13-7-2-8-14-20/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,22).
What are the key properties of N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine?
N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine is sourced from PubChem (CID 1238956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).