10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene

C25H31N — CID 146251707

IUPAC10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene
SMILESC=C1C2=C(CCC=C2/C=C\C)C(C)(C)C2=C1C1CC=CCNC(=C2C)C1
InChIInChI=1S/C25H31N/c1-6-10-18-12-9-13-20-22(18)17(3)23-19-11-7-8-14-26-21(15-19)16(2)24(23)25(20,4)5/h6-8,10,12,19,26H,3,9,11,13-15H2,1-2,4-5H3/b8-7?,10-6-
InChIKeyDUPMBVSZLASTIG-URCTXQCJSA-N
MW345.53 g/mol
LogP6.32
Rot. Bonds1

About 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene

10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene (PubChem CID 146251707) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene.

Molecular Properties

Compound Name10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene
PubChem CID146251707
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene
SMILESC=C1C2=C(CCC=C2/C=C\C)C(C)(C)C2=C1C1CC=CCNC(=C2C)C1
InChIInChI=1S/C25H31N/c1-6-10-18-12-9-13-20-22(18)17(3)23-19-11-7-8-14-26-21(15-19)16(2)24(23)25(20,4)5/h6-8,10,12,19,26H,3,9,11,13-15H2,1-2,4-5H3/b8-7?,10-6-
InChIKeyDUPMBVSZLASTIG-URCTXQCJSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene?
The IUPAC name of 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene (CID 146251707) is 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene.
What is the SMILES notation for 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene?
The canonical SMILES for 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene is C=C1C2=C(CCC=C2/C=C\C)C(C)(C)C2=C1C1CC=CCNC(=C2C)C1.
What is the InChIKey of 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene?
The InChIKey is DUPMBVSZLASTIG-URCTXQCJSA-N. The full InChI is InChI=1S/C25H31N/c1-6-10-18-12-9-13-20-22(18)17(3)23-19-11-7-8-14-26-21(15-19)16(2)24(23)25(20,4)5/h6-8,10,12,19,26H,3,9,11,13-15H2,1-2,4-5H3/b8-7?,10-6-.
What are the key properties of 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene?
10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene has a molecular weight of 345.53 g/mol, XLogP of 6.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12-trimethyl-3-methylidene-5-[(Z)-prop-1-enyl]-14-azatetracyclo[11.5.1.02,11.04,9]nonadeca-2(11),4(9),5,12,16-pentaene is sourced from PubChem (CID 146251707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).