(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C18H26N2 — CID 69063303

IUPAC(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nnc(CC3CCCC3)cc12
InChIInChI=1S/C18H26N2/c1-17(2)15-8-9-18(17,3)16-14(15)11-13(19-20-16)10-12-6-4-5-7-12/h11-12,15H,4-10H2,1-3H3/t15-,18+/m0/s1
InChIKeyLFOGWBFQCOEDQR-MAUKXSAKSA-N
MW270.42 g/mol
LogP4.38
Rot. Bonds2

About (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 69063303) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID69063303
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nnc(CC3CCCC3)cc12
InChIInChI=1S/C18H26N2/c1-17(2)15-8-9-18(17,3)16-14(15)11-13(19-20-16)10-12-6-4-5-7-12/h11-12,15H,4-10H2,1-3H3/t15-,18+/m0/s1
InChIKeyLFOGWBFQCOEDQR-MAUKXSAKSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,8R)-5-(1-adamantyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 15951437
(1S,8R)-5-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 67363498
CID 11421627
CID 11421627
(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
CID 10565312
[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
CID 121206759
(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 98550750
(1R,11S)-1,14,14-trimethyl-3,5,6,8-tetrazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,9-triene-7-thione
CID 10563307
3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete
CID 143711059
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-piperidin-2-yl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 134273911
(1S,8R)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
CID 40559244
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 69063303) is (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CC1(C)[C@H]2CC[C@]1(C)c1nnc(CC3CCCC3)cc12.
What is the InChIKey of (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is LFOGWBFQCOEDQR-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2/c1-17(2)15-8-9-18(17,3)16-14(15)11-13(19-20-16)10-12-6-4-5-7-12/h11-12,15H,4-10H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
(1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 270.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-(cyclopentylmethyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 69063303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).