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

C23H31N — CID 10403815

IUPACN,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
SMILESCCCC1(CCCN(C)C)c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H31N/c1-4-16-23(17-9-18-24(2)3)21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)23/h5-8,10-13H,4,9,14-18H2,1-3H3
InChIKeyTWDNCIASYCIVNN-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.21
Rot. Bonds6

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

N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine (PubChem CID 10403815) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
PubChem CID10403815
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC NameN,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
SMILESCCCC1(CCCN(C)C)c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H31N/c1-4-16-23(17-9-18-24(2)3)21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)23/h5-8,10-13H,4,9,14-18H2,1-3H3
InChIKeyTWDNCIASYCIVNN-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine (CID 10403815) is N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine is CCCC1(CCCN(C)C)c2ccccc2CCc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine?
The InChIKey is TWDNCIASYCIVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-4-16-23(17-9-18-24(2)3)21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)23/h5-8,10-13H,4,9,14-18H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine?
N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine has a molecular weight of 321.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine is sourced from PubChem (CID 10403815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).