10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine

C23H23N — CID 70819852

IUPAC10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine
SMILESCC1(C)C2=C(CCC(N)=C2)c2cc3c(cc21)=CC1=CC=CCC1C=3
InChIInChI=1S/C23H23N/c1-23(2)21-12-17-10-15-6-4-3-5-14(15)9-16(17)11-20(21)19-8-7-18(24)13-22(19)23/h3-4,6,9-14H,5,7-8,24H2,1-2H3
InChIKeyOOXJEVFPSYEVHB-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.44
Rot. Bonds

About 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine

10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine (PubChem CID 70819852) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine.

Molecular Properties

Compound Name10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine
PubChem CID70819852
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine
SMILESCC1(C)C2=C(CCC(N)=C2)c2cc3c(cc21)=CC1=CC=CCC1C=3
InChIInChI=1S/C23H23N/c1-23(2)21-12-17-10-15-6-4-3-5-14(15)9-16(17)11-20(21)19-8-7-18(24)13-22(19)23/h3-4,6,9-14H,5,7-8,24H2,1-2H3
InChIKeyOOXJEVFPSYEVHB-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine?
The IUPAC name of 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine (CID 70819852) is 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine.
What is the SMILES notation for 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine?
The canonical SMILES for 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine is CC1(C)C2=C(CCC(N)=C2)c2cc3c(cc21)=CC1=CC=CCC1C=3.
What is the InChIKey of 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine?
The InChIKey is OOXJEVFPSYEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2)21-12-17-10-15-6-4-3-5-14(15)9-16(17)11-20(21)19-8-7-18(24)13-22(19)23/h3-4,6,9-14H,5,7-8,24H2,1-2H3.
What are the key properties of 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine?
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine has a molecular weight of 313.44 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17-octaen-7-amine is sourced from PubChem (CID 70819852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).