(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

C18H30N2 — CID 127051025

IUPAC(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C18H30N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h11,15-18H,2-10,12-13H2,1H3/t15-,16+,17+,18+/m0/s1
InChIKeyZAZAIALTWQJJND-BSDSXHPESA-N
MW274.45 g/mol
LogP3.29
Rot. Bonds2

About (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (PubChem CID 127051025) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.

Molecular Properties

Compound Name(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
PubChem CID127051025
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C18H30N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h11,15-18H,2-10,12-13H2,1H3/t15-,16+,17+,18+/m0/s1
InChIKeyZAZAIALTWQJJND-BSDSXHPESA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The IUPAC name of (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (CID 127051025) is (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.
What is the SMILES notation for (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The canonical SMILES for (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is CCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21.
What is the InChIKey of (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The InChIKey is ZAZAIALTWQJJND-BSDSXHPESA-N. The full InChI is InChI=1S/C18H30N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h11,15-18H,2-10,12-13H2,1H3/t15-,16+,17+,18+/m0/s1.
What are the key properties of (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
(1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene has a molecular weight of 274.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9R,10R)-3-propyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is sourced from PubChem (CID 127051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).