(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene

C19H24N2 — CID 67897149

IUPAC(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene
SMILESCN1CC[C@H]2CC3=C(CC1C1=C3C=CCC1)C1=C2NCC1
InChIInChI=1S/C19H24N2/c1-21-9-7-12-10-16-13-4-2-3-5-14(13)18(21)11-17(16)15-6-8-20-19(12)15/h2,4,12,18,20H,3,5-11H2,1H3/t12-,18?/m0/s1
InChIKeyBYGGTMMEHLIKRA-RSXQAXDFSA-N
MW280.41 g/mol
LogP3.30
Rot. Bonds

About (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene

(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene (PubChem CID 67897149) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene.

Molecular Properties

Compound Name(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene
PubChem CID67897149
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene
SMILESCN1CC[C@H]2CC3=C(CC1C1=C3C=CCC1)C1=C2NCC1
InChIInChI=1S/C19H24N2/c1-21-9-7-12-10-16-13-4-2-3-5-14(13)18(21)11-17(16)15-6-8-20-19(12)15/h2,4,12,18,20H,3,5-11H2,1H3/t12-,18?/m0/s1
InChIKeyBYGGTMMEHLIKRA-RSXQAXDFSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene?
The IUPAC name of (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene (CID 67897149) is (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene.
What is the SMILES notation for (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene?
The canonical SMILES for (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene is CN1CC[C@H]2CC3=C(CC1C1=C3C=CCC1)C1=C2NCC1.
What is the InChIKey of (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene?
The InChIKey is BYGGTMMEHLIKRA-RSXQAXDFSA-N. The full InChI is InChI=1S/C19H24N2/c1-21-9-7-12-10-16-13-4-2-3-5-14(13)18(21)11-17(16)15-6-8-20-19(12)15/h2,4,12,18,20H,3,5-11H2,1H3/t12-,18?/m0/s1.
What are the key properties of (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene?
(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene has a molecular weight of 280.41 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene is sourced from PubChem (CID 67897149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).