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

C17H19NO — CID 56994850

IUPAC(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCN(C)C1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C17H19NO/c1-18(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)19-17/h3-11,16-17H,12H2,1-2H3/b13-11?,15-14-
InChIKeyUGEKHGQRWQDHDC-QSTOHMKHSA-N
MW253.35 g/mol
LogP1.42
Rot. Bonds1

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

(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 56994850) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID56994850
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCN(C)C1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C17H19NO/c1-18(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)19-17/h3-11,16-17H,12H2,1-2H3/b13-11?,15-14-
InChIKeyUGEKHGQRWQDHDC-QSTOHMKHSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 56987040
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57047502
(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57191539
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
CID 70583339
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
N-[(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-N-propylbutan-1-amine
CID 138519215
ethane;(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549975
(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549976
1-[(3Z)-3-(6-methoxycyclohexa-2,4-dien-1-ylidene)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 168011135

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 56994850) is (1Z)-N,N-dimethyl-8-oxatricyclo[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-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CN(C)C1CC=c2cccc/c2=C2\C=CC=CC2O1.
What is the InChIKey of (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is UGEKHGQRWQDHDC-QSTOHMKHSA-N. The full InChI is InChI=1S/C17H19NO/c1-18(2)17-12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)19-17/h3-11,16-17H,12H2,1-2H3/b13-11?,15-14-.
What are the key properties of (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 253.35 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 56994850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).