N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine

C22H25N — CID 3038614

IUPACN,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
SMILESCN(C)C1CCC2(CC1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C22H25N/c1-23(2)19-13-15-22(16-14-19)20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-12,19H,13-16H2,1-2H3
InChIKeyQFWNWUDKOQTZCU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.96
Rot. Bonds1

About N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine

N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine (PubChem CID 3038614) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine.

Molecular Properties

Compound NameN,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
PubChem CID3038614
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
SMILESCN(C)C1CCC2(CC1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C22H25N/c1-23(2)19-13-15-22(16-14-19)20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-12,19H,13-16H2,1-2H3
InChIKeyQFWNWUDKOQTZCU-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine?
The IUPAC name of N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine (CID 3038614) is N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine.
What is the SMILES notation for N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine?
The canonical SMILES for N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine is CN(C)C1CCC2(CC1)c1ccccc1C=Cc1ccccc12.
What is the InChIKey of N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine?
The InChIKey is QFWNWUDKOQTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-23(2)19-13-15-22(16-14-19)20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-12,19H,13-16H2,1-2H3.
What are the key properties of N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine?
N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine is sourced from PubChem (CID 3038614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).