N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine

C15H20N2O — CID 176934935

IUPACN-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine
SMILESCCc1cccc2c(NCCCNO)cccc12
InChIInChI=1S/C15H20N2O/c1-2-12-6-3-8-14-13(12)7-4-9-15(14)16-10-5-11-17-18/h3-4,6-9,16-18H,2,5,10-11H2,1H3
InChIKeyMIGVILOTCVHLGZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.18
Rot. Bonds6

About N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine

N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine (PubChem CID 176934935) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine
PubChem CID176934935
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine
SMILESCCc1cccc2c(NCCCNO)cccc12
InChIInChI=1S/C15H20N2O/c1-2-12-6-3-8-14-13(12)7-4-9-15(14)16-10-5-11-17-18/h3-4,6-9,16-18H,2,5,10-11H2,1H3
InChIKeyMIGVILOTCVHLGZ-UHFFFAOYSA-N
XLogP3.18
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-ethyl-N-methylnaphthalen-1-amine
CID 143402697
5-(dodecylamino)naphthalen-1-ol
CID 11438841
5-(3-chloropropylamino)naphthalen-1-ol
CID 70579278
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one
CID 174474581
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
CID 174474580
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
CID 18441585
6-(2-ethylanilino)-2,2-dimethylhexanenitrile
CID 106709014
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine?
The IUPAC name of N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine (CID 176934935) is N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine.
What is the SMILES notation for N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine?
The canonical SMILES for N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine is CCc1cccc2c(NCCCNO)cccc12.
What is the InChIKey of N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine?
The InChIKey is MIGVILOTCVHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-12-6-3-8-14-13(12)7-4-9-15(14)16-10-5-11-17-18/h3-4,6-9,16-18H,2,5,10-11H2,1H3.
What are the key properties of N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine?
N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine has a molecular weight of 244.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine is sourced from PubChem (CID 176934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).