N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

C26H32N2OS — CID 144799005

IUPACN-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCSc1ccc(/C(=N/OCCN(C(C)C)C(C)C)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H32N2OS/c1-19(2)28(20(3)4)17-18-29-27-26(22-13-15-23(30-5)16-14-22)25-12-8-10-21-9-6-7-11-24(21)25/h6-16,19-20H,17-18H2,1-5H3/b27-26-
InChIKeyBVUSNSZMDQZACH-RQZHXJHFSA-N
MW420.62 g/mol
LogP6.45
Rot. Bonds9

About N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 144799005) has the molecular formula C26H32N2OS and a molecular weight of 420.62 g/mol. Its IUPAC name is N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID144799005
Molecular FormulaC26H32N2OS
Molecular Weight420.62 g/mol
Exact Mass420.22
IUPAC NameN-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCSc1ccc(/C(=N/OCCN(C(C)C)C(C)C)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H32N2OS/c1-19(2)28(20(3)4)17-18-29-27-26(22-13-15-23(30-5)16-14-22)25-12-8-10-21-9-6-7-11-24(21)25/h6-16,19-20H,17-18H2,1-5H3/b27-26-
InChIKeyBVUSNSZMDQZACH-RQZHXJHFSA-N
XLogP6.45
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
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 N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (CID 144799005) is N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is CSc1ccc(/C(=N/OCCN(C(C)C)C(C)C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BVUSNSZMDQZACH-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H32N2OS/c1-19(2)28(20(3)4)17-18-29-27-26(22-13-15-23(30-5)16-14-22)25-12-8-10-21-9-6-7-11-24(21)25/h6-16,19-20H,17-18H2,1-5H3/b27-26-.
What are the key properties of N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 420.62 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 144799005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).