(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C14H24N2O — CID 6084700

IUPAC(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCCC1CCCCN1C1/C(=N/O)C2CCC1C2
InChIInChI=1S/C14H24N2O/c1-2-12-5-3-4-8-16(12)14-11-7-6-10(9-11)13(14)15-17/h10-12,14,17H,2-9H2,1H3/b15-13+
InChIKeyFVJURVRWXRJNLR-FYWRMAATSA-N
MW236.36 g/mol
LogP2.88
Rot. Bonds2

About (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 6084700) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID6084700
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCCC1CCCCN1C1/C(=N/O)C2CCC1C2
InChIInChI=1S/C14H24N2O/c1-2-12-5-3-4-8-16(12)14-11-7-6-10(9-11)13(14)15-17/h10-12,14,17H,2-9H2,1H3/b15-13+
InChIKeyFVJURVRWXRJNLR-FYWRMAATSA-N
XLogP2.88
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.88
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

(NZ)-N-[(1S,3R,4S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027482
[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol
CID 26975030
2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol
CID 125027521
(NZ)-N-[(1S,3R,4S)-3-[4-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]-1,4-diazepan-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027487
1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 4674677
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179
2-(2-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 43266460
2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440
ethyl 2-[[(1S,2R,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156203
methyl 2-[[(1S,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156200
6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 113441899

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 6084700) is (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CCC1CCCCN1C1/C(=N/O)C2CCC1C2.
What is the InChIKey of (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is FVJURVRWXRJNLR-FYWRMAATSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-12-5-3-4-8-16(12)14-11-7-6-10(9-11)13(14)15-17/h10-12,14,17H,2-9H2,1H3/b15-13+.
What are the key properties of (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 236.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 6084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).