4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene

C18H22N2 — CID 57170989

IUPAC4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESC=CCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21
InChIInChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,15-16H,1,4-10H2,2H3
InChIKeyBUMBBLNDUGYWDY-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.05
Rot. Bonds2

About 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene

4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (PubChem CID 57170989) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.

Molecular Properties

Compound Name4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
PubChem CID57170989
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESC=CCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21
InChIInChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,15-16H,1,4-10H2,2H3
InChIKeyBUMBBLNDUGYWDY-UHFFFAOYSA-N
XLogP4.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
Cyclohexyl 2h benzimidazole
CID 129815849
Hexahydro-5h-indolo[3,2-c]acridine
CID 132493843
1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
4,5-Dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53899128
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
4-Methyl-5-propyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54176352
4-Methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54286019
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
6-(Cyclopropylmethyl)-4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56615159
6-Hexyl-4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56620460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The IUPAC name of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (CID 57170989) is 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.
What is the SMILES notation for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The canonical SMILES for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is C=CCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21.
What is the InChIKey of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The InChIKey is BUMBBLNDUGYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,15-16H,1,4-10H2,2H3.
What are the key properties of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene has a molecular weight of 266.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is sourced from PubChem (CID 57170989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).