N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine

C24H30N4 — CID 14612617

IUPACN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncc(C)c2c1c1c3ccccc3ccc1n2C
InChIInChI=1S/C24H30N4/c1-5-28(6-2)15-9-14-25-24-22-21-19-11-8-7-10-18(19)12-13-20(21)27(4)23(22)17(3)16-26-24/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,26)
InChIKeyFOUDPZLFOSYNBT-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.33
Rot. Bonds7

About N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine

N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 14612617) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID14612617
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncc(C)c2c1c1c3ccccc3ccc1n2C
InChIInChI=1S/C24H30N4/c1-5-28(6-2)15-9-14-25-24-22-21-19-11-8-7-10-18(19)12-13-20(21)27(4)23(22)17(3)16-26-24/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,26)
InChIKeyFOUDPZLFOSYNBT-UHFFFAOYSA-N
XLogP5.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine (CID 14612617) is N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ncc(C)c2c1c1c3ccccc3ccc1n2C.
What is the InChIKey of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is FOUDPZLFOSYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-5-28(6-2)15-9-14-25-24-22-21-19-11-8-7-10-18(19)12-13-20(21)27(4)23(22)17(3)16-26-24/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,26).
What are the key properties of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine?
N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 374.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 14612617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).