N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine

C21H25N — CID 25182824

IUPACN,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine
SMILESCN(C)C1CCC2(Cc3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C21H25N/c1-22(2)19-11-12-21(15-19)14-18-9-4-3-7-16(18)13-17-8-5-6-10-20(17)21/h3-10,19H,11-15H2,1-2H3
InChIKeyIYDOAHOHMRQFTJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.19
Rot. Bonds1

About N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine

N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine (PubChem CID 25182824) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine.

Molecular Properties

Compound NameN,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine
PubChem CID25182824
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine
SMILESCN(C)C1CCC2(Cc3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C21H25N/c1-22(2)19-11-12-21(15-19)14-18-9-4-3-7-16(18)13-17-8-5-6-10-20(17)21/h3-10,19H,11-15H2,1-2H3
InChIKeyIYDOAHOHMRQFTJ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine?
The IUPAC name of N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine (CID 25182824) is N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine.
What is the SMILES notation for N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine?
The canonical SMILES for N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine is CN(C)C1CCC2(Cc3ccccc3Cc3ccccc32)C1.
What is the InChIKey of N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine?
The InChIKey is IYDOAHOHMRQFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-22(2)19-11-12-21(15-19)14-18-9-4-3-7-16(18)13-17-8-5-6-10-20(17)21/h3-10,19H,11-15H2,1-2H3.
What are the key properties of N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine?
N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine is sourced from PubChem (CID 25182824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).