3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine

C23H22N4 — CID 10132826

IUPAC3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine
SMILESNCCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)CNC3
InChIInChI=1S/C23H22N4/c24-10-5-11-27-19-9-4-2-7-15(19)21-17-13-25-12-16(17)20-14-6-1-3-8-18(14)26-22(20)23(21)27/h1-4,6-9,25-26H,5,10-13,24H2
InChIKeyZAEMSACXIRCOSU-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.38
Rot. Bonds3

About 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine

3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine (PubChem CID 10132826) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine
PubChem CID10132826
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine
SMILESNCCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)CNC3
InChIInChI=1S/C23H22N4/c24-10-5-11-27-19-9-4-2-7-15(19)21-17-13-25-12-16(17)20-14-6-1-3-8-18(14)26-22(20)23(21)27/h1-4,6-9,25-26H,5,10-13,24H2
InChIKeyZAEMSACXIRCOSU-UHFFFAOYSA-N
XLogP4.38
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-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 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine?
The IUPAC name of 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine (CID 10132826) is 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine?
The canonical SMILES for 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine is NCCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)CNC3.
What is the InChIKey of 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine?
The InChIKey is ZAEMSACXIRCOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c24-10-5-11-27-19-9-4-2-7-15(19)21-17-13-25-12-16(17)20-14-6-1-3-8-18(14)26-22(20)23(21)27/h1-4,6-9,25-26H,5,10-13,24H2.
What are the key properties of 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine?
3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine has a molecular weight of 354.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propan-1-amine is sourced from PubChem (CID 10132826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).