(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine

C12H20N2O — CID 14330054

IUPAC(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1=CCCN(C2CCCC2)C1
InChIInChI=1S/C12H20N2O/c1-10(13-15)11-5-4-8-14(9-11)12-6-2-3-7-12/h5,12,15H,2-4,6-9H2,1H3/b13-10+
InChIKeyLPAPGTARLJBOJF-JLHYYAGUSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds2

About (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (PubChem CID 14330054) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
PubChem CID14330054
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1=CCCN(C2CCCC2)C1
InChIInChI=1S/C12H20N2O/c1-10(13-15)11-5-4-8-14(9-11)12-6-2-3-7-12/h5,12,15H,2-4,6-9H2,1H3/b13-10+
InChIKeyLPAPGTARLJBOJF-JLHYYAGUSA-N
XLogP2.41
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (CID 14330054) is (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine is C/C(=N\O)C1=CCCN(C2CCCC2)C1.
What is the InChIKey of (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The InChIKey is LPAPGTARLJBOJF-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(13-15)11-5-4-8-14(9-11)12-6-2-3-7-12/h5,12,15H,2-4,6-9H2,1H3/b13-10+.
What are the key properties of (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine has a molecular weight of 208.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-cyclopentyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 14330054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).