N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

C14H28N2O — CID 114200257

IUPACN-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(C)CC(C)C)CCC1=NO
InChIInChI=1S/C14H28N2O/c1-5-13-10-16(7-6-14(13)15-17)9-12(4)8-11(2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyPPZBOOSWCRECDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114200257) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
PubChem CID114200257
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(C)CC(C)C)CCC1=NO
InChIInChI=1S/C14H28N2O/c1-5-13-10-16(7-6-14(13)15-17)9-12(4)8-11(2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyPPZBOOSWCRECDW-UHFFFAOYSA-N
XLogP3.23
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.23
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 N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (CID 114200257) is N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is CCC1CN(CC(C)CC(C)C)CCC1=NO.
What is the InChIKey of N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is PPZBOOSWCRECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-13-10-16(7-6-14(13)15-17)9-12(4)8-11(2)3/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 240.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114200257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).