(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene

C19H25N3 — CID 44591196

IUPAC(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene
SMILESC[C@H]1C2Cc3ccc4[nH]cnc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1
InChIKeyLDRBAEPMWJIAHQ-RIIOYKDLSA-N
MW295.43 g/mol
LogP3.50
Rot. Bonds2

About (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene

(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene (PubChem CID 44591196) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene.

Molecular Properties

Compound Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene
PubChem CID44591196
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene
SMILESC[C@H]1C2Cc3ccc4[nH]cnc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1
InChIKeyLDRBAEPMWJIAHQ-RIIOYKDLSA-N
XLogP3.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene?
The IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene (CID 44591196) is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene.
What is the SMILES notation for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene?
The canonical SMILES for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene is C[C@H]1C2Cc3ccc4[nH]cnc4c3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene?
The InChIKey is LDRBAEPMWJIAHQ-RIIOYKDLSA-N. The full InChI is InChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1.
What are the key properties of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene?
(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene has a molecular weight of 295.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraene is sourced from PubChem (CID 44591196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).