N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine

C24H24N4 — CID 39070725

IUPACN,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21
InChIInChI=1S/C24H24N4/c1-3-27(4-2)15-16-28-21-14-13-17-9-5-6-10-18(17)22(21)23-24(28)26-20-12-8-7-11-19(20)25-23/h5-14H,3-4,15-16H2,1-2H3
InChIKeyWRVULNITOSDRPK-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.23
Rot. Bonds5

About N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine

N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine (PubChem CID 39070725) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
PubChem CID39070725
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21
InChIInChI=1S/C24H24N4/c1-3-27(4-2)15-16-28-21-14-13-17-9-5-6-10-18(17)22(21)23-24(28)26-20-12-8-7-11-19(20)25-23/h5-14H,3-4,15-16H2,1-2H3
InChIKeyWRVULNITOSDRPK-UHFFFAOYSA-N
XLogP5.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine (CID 39070725) is N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine is CCN(CC)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21.
What is the InChIKey of N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The InChIKey is WRVULNITOSDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-3-27(4-2)15-16-28-21-14-13-17-9-5-6-10-18(17)22(21)23-24(28)26-20-12-8-7-11-19(20)25-23/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine has a molecular weight of 368.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine is sourced from PubChem (CID 39070725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).