N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

C20H27N5 — CID 4899441

IUPACN-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCCc1cc(NC2CCCCC2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C20H27N5/c1-4-8-16-12-17(22-15-9-6-5-7-10-15)25-20(23-16)18-13(2)11-14(3)21-19(18)24-25/h11-12,15,22H,4-10H2,1-3H3
InChIKeyFILPMTBJGJWSQD-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.59
Rot. Bonds4

About N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (PubChem CID 4899441) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
PubChem CID4899441
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCCc1cc(NC2CCCCC2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C20H27N5/c1-4-8-16-12-17(22-15-9-6-5-7-10-15)25-20(23-16)18-13(2)11-14(3)21-19(18)24-25/h11-12,15,22H,4-10H2,1-3H3
InChIKeyFILPMTBJGJWSQD-UHFFFAOYSA-N
XLogP4.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The IUPAC name of N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (CID 4899441) is N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.
What is the SMILES notation for N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The canonical SMILES for N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is CCCc1cc(NC2CCCCC2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The InChIKey is FILPMTBJGJWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-4-8-16-12-17(22-15-9-6-5-7-10-15)25-20(23-16)18-13(2)11-14(3)21-19(18)24-25/h11-12,15,22H,4-10H2,1-3H3.
What are the key properties of N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine has a molecular weight of 337.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is sourced from PubChem (CID 4899441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).