(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane

C18H31N — CID 101233333

IUPAC(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane
SMILESC=CC[C@@H]1C[C@H]2[C@@H](CCC)C[C@H](CC)[C@H]3CCC1N32
InChIInChI=1S/C18H31N/c1-4-7-14-11-13(6-3)16-9-10-17-15(8-5-2)12-18(14)19(16)17/h5,13-18H,2,4,6-12H2,1,3H3/t13-,14-,15+,16+,17?,18-/m0/s1
InChIKeyPQFMGMYNYSDPDW-PNSRCHHHSA-N
MW261.45 g/mol
LogP4.63
Rot. Bonds5

About (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane

(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane (PubChem CID 101233333) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Name(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane
PubChem CID101233333
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane
SMILESC=CC[C@@H]1C[C@H]2[C@@H](CCC)C[C@H](CC)[C@H]3CCC1N32
InChIInChI=1S/C18H31N/c1-4-7-14-11-13(6-3)16-9-10-17-15(8-5-2)12-18(14)19(16)17/h5,13-18H,2,4,6-12H2,1,3H3/t13-,14-,15+,16+,17?,18-/m0/s1
InChIKeyPQFMGMYNYSDPDW-PNSRCHHHSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane with MolForge

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Related Compounds

(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol
CID 11332854
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
CID 81029906
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 86094387
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
(4-methyl-2-prop-2-enylcyclohexyl)methanamine
CID 81009983

Frequently Asked Questions

What is the IUPAC name of (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane?
The IUPAC name of (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane (CID 101233333) is (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane is C=CC[C@@H]1C[C@H]2[C@@H](CCC)C[C@H](CC)[C@H]3CCC1N32.
What is the InChIKey of (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane?
The InChIKey is PQFMGMYNYSDPDW-PNSRCHHHSA-N. The full InChI is InChI=1S/C18H31N/c1-4-7-14-11-13(6-3)16-9-10-17-15(8-5-2)12-18(14)19(16)17/h5,13-18H,2,4,6-12H2,1,3H3/t13-,14-,15+,16+,17?,18-/m0/s1.
What are the key properties of (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane?
(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane has a molecular weight of 261.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 101233333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).