(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

C17H20N2 — CID 57065739

IUPAC(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCN(C)C1CC=c2cccc/c2=C2\C=CC=CC2N1
InChIInChI=1S/C17H20N2/c1-19(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18-17/h3-11,16-18H,12H2,1-2H3/b13-11?,15-14-
InChIKeyDNMBFPFPCSQEHE-QSTOHMKHSA-N
MW252.36 g/mol
LogP0.99
Rot. Bonds1

About (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 57065739) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID57065739
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCN(C)C1CC=c2cccc/c2=C2\C=CC=CC2N1
InChIInChI=1S/C17H20N2/c1-19(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18-17/h3-11,16-18H,12H2,1-2H3/b13-11?,15-14-
InChIKeyDNMBFPFPCSQEHE-QSTOHMKHSA-N
XLogP0.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 57065739) is (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.
What is the SMILES notation for (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CN(C)C1CC=c2cccc/c2=C2\C=CC=CC2N1.
What is the InChIKey of (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is DNMBFPFPCSQEHE-QSTOHMKHSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18-17/h3-11,16-18H,12H2,1-2H3/b13-11?,15-14-.
What are the key properties of (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 252.36 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 57065739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).