N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride

C19H25ClN4O — CID 25102687

IUPACN-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride
SMILESCl.c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2
InChIInChI=1S/C19H24N4O.ClH/c1-2-7-17-15(4-1)5-3-6-16-14-18(21-22-19(16)17)20-8-9-23-10-12-24-13-11-23;/h1-2,4,7,14H,3,5-6,8-13H2,(H,20,21);1H
InChIKeyVUKUZCOQNGSGNQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.80
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride

N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride (PubChem CID 25102687) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride
PubChem CID25102687
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride
SMILESCl.c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2
InChIInChI=1S/C19H24N4O.ClH/c1-2-7-17-15(4-1)5-3-6-16-14-18(21-22-19(16)17)20-8-9-23-10-12-24-13-11-23;/h1-2,4,7,14H,3,5-6,8-13H2,(H,20,21);1H
InChIKeyVUKUZCOQNGSGNQ-UHFFFAOYSA-N
XLogP2.80
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride 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-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride (CID 25102687) is N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride is Cl.c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride?
The InChIKey is VUKUZCOQNGSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-2-7-17-15(4-1)5-3-6-16-14-18(21-22-19(16)17)20-8-9-23-10-12-24-13-11-23;/h1-2,4,7,14H,3,5-6,8-13H2,(H,20,21);1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride?
N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;hydrochloride is sourced from PubChem (CID 25102687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).