(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene

C15H22N2 — CID 163106954

IUPAC(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
SMILESC1=C2CCCN=C2[C@H]2C[C@@H]1[C@H]1CCCCN1C2
InChIInChI=1S/C15H22N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-14H,1-7,9-10H2/t12-,13+,14-/m1/s1
InChIKeyZVLHOJXCGOUVOP-HZSPNIEDSA-N
MW230.35 g/mol
LogP2.65
Rot. Bonds

About (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene

(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene (PubChem CID 163106954) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene.

Molecular Properties

Compound Name(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
PubChem CID163106954
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
SMILESC1=C2CCCN=C2[C@H]2C[C@@H]1[C@H]1CCCCN1C2
InChIInChI=1S/C15H22N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-14H,1-7,9-10H2/t12-,13+,14-/m1/s1
InChIKeyZVLHOJXCGOUVOP-HZSPNIEDSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
CID 58634016
1,3,4,6,7,7a,8,9,11a,11b-Decahydrobenzo[a]quinolizin-2-imine
CID 90913614
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
CID 158236843
3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
CID 163106953

Frequently Asked Questions

What is the IUPAC name of (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene?
The IUPAC name of (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene (CID 163106954) is (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene.
What is the SMILES notation for (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene?
The canonical SMILES for (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene is C1=C2CCCN=C2[C@H]2C[C@@H]1[C@H]1CCCCN1C2.
What is the InChIKey of (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene?
The InChIKey is ZVLHOJXCGOUVOP-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-14H,1-7,9-10H2/t12-,13+,14-/m1/s1.
What are the key properties of (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene?
(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene has a molecular weight of 230.35 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene is sourced from PubChem (CID 163106954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).