1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine

C18H24N2 — CID 13156004

IUPAC1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cccc3c4c(n1c23)CCCC4
InChIInChI=1S/C18H24N2/c1-19(2)12-14-11-10-13-6-5-8-16-15-7-3-4-9-17(15)20(14)18(13)16/h5-6,8,14H,3-4,7,9-12H2,1-2H3
InChIKeyRYXIFIYFXTWNOJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.57
Rot. Bonds2

About 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine

1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine (PubChem CID 13156004) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine
PubChem CID13156004
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2cccc3c4c(n1c23)CCCC4
InChIInChI=1S/C18H24N2/c1-19(2)12-14-11-10-13-6-5-8-16-15-7-3-4-9-17(15)20(14)18(13)16/h5-6,8,14H,3-4,7,9-12H2,1-2H3
InChIKeyRYXIFIYFXTWNOJ-UHFFFAOYSA-N
XLogP3.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine (CID 13156004) is 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine is CN(C)CC1CCc2cccc3c4c(n1c23)CCCC4.
What is the InChIKey of 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is RYXIFIYFXTWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-19(2)12-14-11-10-13-6-5-8-16-15-7-3-4-9-17(15)20(14)18(13)16/h5-6,8,14H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine?
1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 13156004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).