15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene

C20H26N2 — CID 54373046

IUPAC15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene
SMILESCC1C2CC3=C(CCC4=C3C=C/N=C\CC41C)N2CC1CC1
InChIInChI=1S/C20H26N2/c1-13-19-11-16-15-7-9-21-10-8-20(13,2)17(15)5-6-18(16)22(19)12-14-3-4-14/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3/b9-7?,21-10-
InChIKeyUUOHLISSEXDJCP-MATFPABBSA-N
MW294.44 g/mol
LogP4.46
Rot. Bonds2

About 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene

15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene (PubChem CID 54373046) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene.

Molecular Properties

Compound Name15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene
PubChem CID54373046
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene
SMILESCC1C2CC3=C(CCC4=C3C=C/N=C\CC41C)N2CC1CC1
InChIInChI=1S/C20H26N2/c1-13-19-11-16-15-7-9-21-10-8-20(13,2)17(15)5-6-18(16)22(19)12-14-3-4-14/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3/b9-7?,21-10-
InChIKeyUUOHLISSEXDJCP-MATFPABBSA-N
XLogP4.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879718
(5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879722
(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879725
(5Z,8Z)-15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879726
(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879732
(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879738
(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile
CID 19879767
(5E)-6-chloro-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879768
(5Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879774
(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879793
6,12-Dimethyl-1,2,3,4,5,6-hexahydro-3-(2-propenyl)-2,6-methano-9H-pyrrolo-[3,2-h][3]benzazocine
CID 53713365
3-Cyclopropylmethyl-6,12-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-9H-pyrrolo-[3,2-h][3]benzazocine
CID 53752137

Frequently Asked Questions

What is the IUPAC name of 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene?
The IUPAC name of 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene (CID 54373046) is 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene.
What is the SMILES notation for 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene?
The canonical SMILES for 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene is CC1C2CC3=C(CCC4=C3C=C/N=C\CC41C)N2CC1CC1.
What is the InChIKey of 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene?
The InChIKey is UUOHLISSEXDJCP-MATFPABBSA-N. The full InChI is InChI=1S/C20H26N2/c1-13-19-11-16-15-7-9-21-10-8-20(13,2)17(15)5-6-18(16)22(19)12-14-3-4-14/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3/b9-7?,21-10-.
What are the key properties of 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene?
15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene has a molecular weight of 294.44 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(cyclopropylmethyl)-10,16-dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,7-tetraene is sourced from PubChem (CID 54373046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).