N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine

C14H18ClN7O — CID 134116630

IUPACN-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine
SMILESCN/N=C(/Cn1nnc(N2CCOCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN7O/c1-16-17-13(11-2-4-12(15)5-3-11)10-22-19-14(18-20-22)21-6-8-23-9-7-21/h2-5,16H,6-10H2,1H3/b17-13-
InChIKeyBIYUGPKLKZOQDP-LGMDPLHJSA-N
MW335.80 g/mol
LogP0.79
Rot. Bonds5

About N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine

N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine (PubChem CID 134116630) has the molecular formula C14H18ClN7O and a molecular weight of 335.80 g/mol. Its IUPAC name is N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine
PubChem CID134116630
Molecular FormulaC14H18ClN7O
Molecular Weight335.80 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine
SMILESCN/N=C(/Cn1nnc(N2CCOCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN7O/c1-16-17-13(11-2-4-12(15)5-3-11)10-22-19-14(18-20-22)21-6-8-23-9-7-21/h2-5,16H,6-10H2,1H3/b17-13-
InChIKeyBIYUGPKLKZOQDP-LGMDPLHJSA-N
XLogP0.79
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine?
The IUPAC name of N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine (CID 134116630) is N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine is CN/N=C(/Cn1nnc(N2CCOCC2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine?
The InChIKey is BIYUGPKLKZOQDP-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H18ClN7O/c1-16-17-13(11-2-4-12(15)5-3-11)10-22-19-14(18-20-22)21-6-8-23-9-7-21/h2-5,16H,6-10H2,1H3/b17-13-.
What are the key properties of N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine?
N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine has a molecular weight of 335.80 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine is sourced from PubChem (CID 134116630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).