N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine

C27H26N2O — CID 51360627

IUPACN,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCn1ccc2c(N(Cc3ccccc3)Cc3ccccc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C27H26N2O/c1-28-15-14-21-23(16-22-24-12-13-25(30-24)26(22)27(21)28)29(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-11,14-16,24-25H,12-13,17-18H2,1H3
InChIKeyLCEZARLIWWZZRV-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.29
Rot. Bonds5

About N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine

N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (PubChem CID 51360627) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
PubChem CID51360627
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine
SMILESCn1ccc2c(N(Cc3ccccc3)Cc3ccccc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C27H26N2O/c1-28-15-14-21-23(16-22-24-12-13-25(30-24)26(22)27(21)28)29(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-11,14-16,24-25H,12-13,17-18H2,1H3
InChIKeyLCEZARLIWWZZRV-UHFFFAOYSA-N
XLogP6.29
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The IUPAC name of N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine (CID 51360627) is N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine.
What is the SMILES notation for N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The canonical SMILES for N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine is Cn1ccc2c(N(Cc3ccccc3)Cc3ccccc3)cc3c(c21)C1CCC3O1.
What is the InChIKey of N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
The InChIKey is LCEZARLIWWZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-28-15-14-21-23(16-22-24-12-13-25(30-24)26(22)27(21)28)29(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-11,14-16,24-25H,12-13,17-18H2,1H3.
What are the key properties of N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine?
N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine has a molecular weight of 394.52 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-8-amine is sourced from PubChem (CID 51360627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).