N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine

C18H22N2 — CID 84640227

IUPACN-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine
SMILESc1cc2c3c(c1)c1c(n3CCC2)CCC(NC2CC2)C1
InChIInChI=1S/C18H22N2/c1-3-12-4-2-10-20-17-9-8-14(19-13-6-7-13)11-16(17)15(5-1)18(12)20/h1,3,5,13-14,19H,2,4,6-11H2
InChIKeyZEKNJYGOORISJL-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.20
Rot. Bonds2

About N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine

N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine (PubChem CID 84640227) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine
PubChem CID84640227
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine
SMILESc1cc2c3c(c1)c1c(n3CCC2)CCC(NC2CC2)C1
InChIInChI=1S/C18H22N2/c1-3-12-4-2-10-20-17-9-8-14(19-13-6-7-13)11-16(17)15(5-1)18(12)20/h1,3,5,13-14,19H,2,4,6-11H2
InChIKeyZEKNJYGOORISJL-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine?
The IUPAC name of N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine (CID 84640227) is N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine.
What is the SMILES notation for N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine?
The canonical SMILES for N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine is c1cc2c3c(c1)c1c(n3CCC2)CCC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine?
The InChIKey is ZEKNJYGOORISJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-12-4-2-10-20-17-9-8-14(19-13-6-7-13)11-16(17)15(5-1)18(12)20/h1,3,5,13-14,19H,2,4,6-11H2.
What are the key properties of N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine?
N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine has a molecular weight of 266.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine is sourced from PubChem (CID 84640227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).