N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine

C15H21NO2 — CID 61342447

IUPACN-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCC2CCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-15(16-17)13-7-9-14(10-8-13)18-11-12-5-3-4-6-12/h7-10,12,17H,2-6,11H2,1H3
InChIKeyVMQUFPIRECFFOD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.84
Rot. Bonds5

About N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine

N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 61342447) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
PubChem CID61342447
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCC2CCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-15(16-17)13-7-9-14(10-8-13)18-11-12-5-3-4-6-12/h7-10,12,17H,2-6,11H2,1H3
InChIKeyVMQUFPIRECFFOD-UHFFFAOYSA-N
XLogP3.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
CID 172987127
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
cyclohexylmethoxybenzene
CID 14399287
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine (CID 61342447) is N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine is CCC(=NO)c1ccc(OCC2CCCC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is VMQUFPIRECFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(16-17)13-7-9-14(10-8-13)18-11-12-5-3-4-6-12/h7-10,12,17H,2-6,11H2,1H3.
What are the key properties of N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine?
N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 247.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 61342447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).