N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine

C17H17N3O — CID 11701866

IUPACN,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
SMILESCN(C)CCn1nc2c3c(cccc31)Oc1ccccc1-2
InChIInChI=1S/C17H17N3O/c1-19(2)10-11-20-13-7-5-9-15-16(13)17(18-20)12-6-3-4-8-14(12)21-15/h3-9H,10-11H2,1-2H3
InChIKeyWOFIPJYHQYQSPB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.37
Rot. Bonds3

About N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine

N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine (PubChem CID 11701866) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
PubChem CID11701866
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
SMILESCN(C)CCn1nc2c3c(cccc31)Oc1ccccc1-2
InChIInChI=1S/C17H17N3O/c1-19(2)10-11-20-13-7-5-9-15-16(13)17(18-20)12-6-3-4-8-14(12)21-15/h3-9H,10-11H2,1-2H3
InChIKeyWOFIPJYHQYQSPB-UHFFFAOYSA-N
XLogP3.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine (CID 11701866) is N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine is CN(C)CCn1nc2c3c(cccc31)Oc1ccccc1-2.
What is the InChIKey of N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine?
The InChIKey is WOFIPJYHQYQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19(2)10-11-20-13-7-5-9-15-16(13)17(18-20)12-6-3-4-8-14(12)21-15/h3-9H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine?
N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine is sourced from PubChem (CID 11701866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).