6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride

C16H22ClN3O2 — CID 52994578

IUPAC6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)N/N=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C16H21N3O2.ClH/c17-9-5-1-2-8-16(20)19-18-11-13-10-14-6-3-4-7-15(14)21-12-13;/h3-4,6-7,10-11H,1-2,5,8-9,12,17H2,(H,19,20);1H/b18-11+;
InChIKeyBGYHOVUMOOVPJH-NWBUNABESA-N
MW323.82 g/mol
LogP2.51
Rot. Bonds7

About 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride

6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride (PubChem CID 52994578) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride
PubChem CID52994578
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)N/N=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C16H21N3O2.ClH/c17-9-5-1-2-8-16(20)19-18-11-13-10-14-6-3-4-7-15(14)21-12-13;/h3-4,6-7,10-11H,1-2,5,8-9,12,17H2,(H,19,20);1H/b18-11+;
InChIKeyBGYHOVUMOOVPJH-NWBUNABESA-N
XLogP2.51
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride?
The IUPAC name of 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride (CID 52994578) is 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride.
What is the SMILES notation for 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride?
The canonical SMILES for 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride is Cl.NCCCCCC(=O)N/N=C/C1=Cc2ccccc2OC1.
What is the InChIKey of 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride?
The InChIKey is BGYHOVUMOOVPJH-NWBUNABESA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c17-9-5-1-2-8-16(20)19-18-11-13-10-14-6-3-4-7-15(14)21-12-13;/h3-4,6-7,10-11H,1-2,5,8-9,12,17H2,(H,19,20);1H/b18-11+;.
What are the key properties of 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride?
6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(E)-2H-chromen-3-ylmethylideneamino]hexanamide;hydrochloride is sourced from PubChem (CID 52994578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).