N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

C18H26N2 — CID 19785447

IUPACN,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCNc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3
InChIInChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3
InChIKeyZAAIRIXWNJOFIN-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.42
Rot. Bonds1

About N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (PubChem CID 19785447) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound NameN,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
PubChem CID19785447
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCNc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3
InChIInChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3
InChIKeyZAAIRIXWNJOFIN-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The IUPAC name of N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (CID 19785447) is N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.
What is the SMILES notation for N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The canonical SMILES for N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is CNc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3.
What is the InChIKey of N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The InChIKey is ZAAIRIXWNJOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3.
What are the key properties of N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine has a molecular weight of 270.42 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 19785447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).