N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine

C21H27N — CID 19079052

IUPACN,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine
SMILESCCCC1(CN(C)C)c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H27N/c1-4-15-21(16-22(2)3)19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,4,13-16H2,1-3H3
InChIKeyLQTDMRNLNRTSQY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.43
Rot. Bonds4

About N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine

N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine (PubChem CID 19079052) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine
PubChem CID19079052
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine
SMILESCCCC1(CN(C)C)c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H27N/c1-4-15-21(16-22(2)3)19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,4,13-16H2,1-3H3
InChIKeyLQTDMRNLNRTSQY-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine (CID 19079052) is N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine is CCCC1(CN(C)C)c2ccccc2CCc2ccccc21.
What is the InChIKey of N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine?
The InChIKey is LQTDMRNLNRTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-4-15-21(16-22(2)3)19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,4,13-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine?
N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine has a molecular weight of 293.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methanamine is sourced from PubChem (CID 19079052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).