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

C18H24N2 — CID 57140398

IUPAC4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCC1=NC(C(C)C)C2CC3=C4C(=NC3)CCCC4=C2C1
InChIInChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h10,15,18H,4-9H2,1-3H3
InChIKeyRCRWVDBVFVAYPF-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.13
Rot. Bonds1

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

4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (PubChem CID 57140398) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
PubChem CID57140398
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCC1=NC(C(C)C)C2CC3=C4C(=NC3)CCCC4=C2C1
InChIInChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h10,15,18H,4-9H2,1-3H3
InChIKeyRCRWVDBVFVAYPF-UHFFFAOYSA-N
XLogP4.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
4-Ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56621587

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The IUPAC name of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (CID 57140398) is 4-methyl-6-propan-2-yl-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-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The canonical SMILES for 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is CC1=NC(C(C)C)C2CC3=C4C(=NC3)CCCC4=C2C1.
What is the InChIKey of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The InChIKey is RCRWVDBVFVAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h10,15,18H,4-9H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
4-methyl-6-propan-2-yl-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 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is sourced from PubChem (CID 57140398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).