(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C17H30N2 — CID 20846911

IUPAC(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCC[C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@@H]12
InChIInChI=1S/C17H30N2/c1-2-17-8-4-6-10-19(17)12-14-11-15(17)13-18-9-5-3-7-16(14)18/h14-16H,2-13H2,1H3/t14-,15-,16-,17-/m0/s1
InChIKeyPDHYEINWLCZHNL-QAETUUGQSA-N
MW262.44 g/mol
LogP3.13
Rot. Bonds1

About (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 20846911) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID20846911
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCC[C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@@H]12
InChIInChI=1S/C17H30N2/c1-2-17-8-4-6-10-19(17)12-14-11-15(17)13-18-9-5-3-7-16(14)18/h14-16H,2-13H2,1H3/t14-,15-,16-,17-/m0/s1
InChIKeyPDHYEINWLCZHNL-QAETUUGQSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane with MolForge

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Related Compounds

Sparteine
CID 644020
(+)-Sparteine
CID 7014
(7S,7aS,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine
CID 168213
Genisteine
CID 92759
Sparteine non-stereo
CID 3966
Lupinidine
CID 6452127
7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, [7S-(7alpha,7abeta,14alpha,14abeta)]-
CID 1774551
(+)-Spartein Surrogate
CID 566851
rel-(1R,5S,11aS)-Decahydro-3-methyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine
CID 11159879
Dodecahydro-7,14-methano-dipyrido[1,2-a;1'',2''-e][1,5]diazocine
CID 70960031
Matridine
CID 6857498
alpha-Isosparteine
CID 15939859

Frequently Asked Questions

What is the IUPAC name of (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 20846911) is (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is CC[C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@@H]12.
What is the InChIKey of (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is PDHYEINWLCZHNL-QAETUUGQSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-17-8-4-6-10-19(17)12-14-11-15(17)13-18-9-5-3-7-16(14)18/h14-16H,2-13H2,1H3/t14-,15-,16-,17-/m0/s1.
What are the key properties of (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 262.44 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,9S,10S)-2-ethyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 20846911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).