N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide

C19H22N4O — CID 140647032

IUPACN-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CCO)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H22N4O/c1-14(20)23(12-13-24)11-10-21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,20,24H,10-13H2,1H3,(H,21,22)/b20-14+
InChIKeyDJWDCLFQLRKNJS-XSFVSMFZSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide

N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide (PubChem CID 140647032) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide.

Molecular Properties

Compound NameN-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide
PubChem CID140647032
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CCO)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H22N4O/c1-14(20)23(12-13-24)11-10-21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,20,24H,10-13H2,1H3,(H,21,22)/b20-14+
InChIKeyDJWDCLFQLRKNJS-XSFVSMFZSA-N
XLogP3.09
TPSA72.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide?
The IUPAC name of N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide (CID 140647032) is N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide.
What is the SMILES notation for N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide?
The canonical SMILES for N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide is [H]/N=C(\C)N(CCO)CCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide?
The InChIKey is DJWDCLFQLRKNJS-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(20)23(12-13-24)11-10-21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,20,24H,10-13H2,1H3,(H,21,22)/b20-14+.
What are the key properties of N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide?
N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide has a molecular weight of 322.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acridin-9-ylamino)ethyl]-N-(2-hydroxyethyl)ethanimidamide is sourced from PubChem (CID 140647032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).