1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine

C22H24N2 — CID 13156010

IUPAC1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cccc3c4c(n1c23)-c1ccccc1CC4
InChIInChI=1S/C22H24N2/c1-23(2)14-17-12-10-16-7-5-9-19-20-13-11-15-6-3-4-8-18(15)22(20)24(17)21(16)19/h3-9,17H,10-14H2,1-2H3
InChIKeyFNBAHUNVBYUTFN-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.46
Rot. Bonds2

About 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine

1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine (PubChem CID 13156010) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine
PubChem CID13156010
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cccc3c4c(n1c23)-c1ccccc1CC4
InChIInChI=1S/C22H24N2/c1-23(2)14-17-12-10-16-7-5-9-19-20-13-11-15-6-3-4-8-18(15)22(20)24(17)21(16)19/h3-9,17H,10-14H2,1-2H3
InChIKeyFNBAHUNVBYUTFN-UHFFFAOYSA-N
XLogP4.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine (CID 13156010) is 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine is CN(C)CC1CCc2cccc3c4c(n1c23)-c1ccccc1CC4.
What is the InChIKey of 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine?
The InChIKey is FNBAHUNVBYUTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-23(2)14-17-12-10-16-7-5-9-19-20-13-11-15-6-3-4-8-18(15)22(20)24(17)21(16)19/h3-9,17H,10-14H2,1-2H3.
What are the key properties of 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine?
1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine has a molecular weight of 316.45 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3,5,7,12,14,16(20)-heptaen-19-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 13156010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).