15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene

C20H30N2 — CID 57157439

IUPAC15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCCC4
InChIInChI=1S/C20H30N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h12-13,16-17,19,21H,3-11H2,1-2H3
InChIKeyOEAMZMUTDBLMGF-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.11
Rot. Bonds2

About 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene

15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (PubChem CID 57157439) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene.

Molecular Properties

Compound Name15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
PubChem CID57157439
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCCC4
InChIInChI=1S/C20H30N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h12-13,16-17,19,21H,3-11H2,1-2H3
InChIKeyOEAMZMUTDBLMGF-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The IUPAC name of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (CID 57157439) is 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene.
What is the SMILES notation for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The canonical SMILES for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is CC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCCC4.
What is the InChIKey of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The InChIKey is OEAMZMUTDBLMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h12-13,16-17,19,21H,3-11H2,1-2H3.
What are the key properties of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene has a molecular weight of 298.47 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is sourced from PubChem (CID 57157439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).