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

C18H24N2 — CID 56631573

IUPAC4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCCCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21
InChIInChI=1S/C18H24N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h15-16H,3-10H2,1-2H3
InChIKeyUUQRJWOJJFSKBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.27
Rot. Bonds2

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

4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (PubChem CID 56631573) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.

Molecular Properties

Compound Name4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
PubChem CID56631573
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCCCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21
InChIInChI=1S/C18H24N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h15-16H,3-10H2,1-2H3
InChIKeyUUQRJWOJJFSKBI-UHFFFAOYSA-N
XLogP4.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-Cyclopropyl-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53917171
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-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54208723
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
5-Hexyl-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54325839
5-(Cyclopropylmethyl)-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54491793
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
CID 56606567
5,11-Diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56613530
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-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The IUPAC name of 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (CID 56631573) is 4-methyl-6-propyl-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-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The canonical SMILES for 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is CCCC1N=C(C)CC2=C3CCCC4=NCC(=C43)CC21.
What is the InChIKey of 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The InChIKey is UUQRJWOJJFSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h15-16H,3-10H2,1-2H3.
What are the key properties of 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene has a molecular weight of 268.40 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is sourced from PubChem (CID 56631573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).