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

C18H28N2 — CID 15867390

IUPAC(1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESC=CCN1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C18H28N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h2,11,15-18H,1,3-10,12-13H2/t15-,16+,17-,18-/m1/s1
InChIKeyDSIDOFCSNGDXTF-XMTFNYHQSA-N
MW272.44 g/mol
LogP3.07
Rot. Bonds2

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

(1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (PubChem CID 15867390) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.

Molecular Properties

Compound Name(1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
PubChem CID15867390
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESC=CCN1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C18H28N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h2,11,15-18H,1,3-10,12-13H2/t15-,16+,17-,18-/m1/s1
InChIKeyDSIDOFCSNGDXTF-XMTFNYHQSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.07
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 (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The IUPAC name of (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (CID 15867390) is (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.
What is the SMILES notation for (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The canonical SMILES for (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is C=CCN1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21.
What is the InChIKey of (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The InChIKey is DSIDOFCSNGDXTF-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-8-19-10-5-6-14-11-15-12-16(18(14)19)13-20-9-4-3-7-17(15)20/h2,11,15-18H,1,3-10,12-13H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
(1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene has a molecular weight of 272.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,9S,10R)-3-prop-2-enyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is sourced from PubChem (CID 15867390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).