bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)

C18H42N6O2 — CID 173291524

IUPACbis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
SMILESCCN1CCC(=NO)CC1.CCN1CCC(=NO)CC1.CNC.CNC
InChIInChI=1S/2C7H14N2O.2C2H7N/c2*1-2-9-5-3-7(8-10)4-6-9;2*1-3-2/h2*10H,2-6H2,1H3;2*3H,1-2H3
InChIKeyFMAHROQRNCIYGA-UHFFFAOYSA-N
MW374.57 g/mol
LogP1.54
Rot. Bonds2

About bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)

bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine) (PubChem CID 173291524) has the molecular formula C18H42N6O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine).

Molecular Properties

Compound Namebis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
PubChem CID173291524
Molecular FormulaC18H42N6O2
Molecular Weight374.57 g/mol
Exact Mass374.34
IUPAC Namebis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
SMILESCCN1CCC(=NO)CC1.CCN1CCC(=NO)CC1.CNC.CNC
InChIInChI=1S/2C7H14N2O.2C2H7N/c2*1-2-9-5-3-7(8-10)4-6-9;2*1-3-2/h2*10H,2-6H2,1H3;2*3H,1-2H3
InChIKeyFMAHROQRNCIYGA-UHFFFAOYSA-N
XLogP1.54
TPSA95.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride
CID 53395422
N-(1-butylpyrrolidin-3-ylidene)hydroxylamine
CID 131858556
N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
CID 81106852
1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
CID 63899653
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
CID 43117218
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
1-ethylpiperazine;methane;N-methylmethanamine
CID 68903737
1,4-diethylpiperazine;sulfane
CID 177062456
N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
CID 3642312
N-(1-ethylpiperidin-4-yl)hydroxylamine
CID 82685178

Frequently Asked Questions

What is the IUPAC name of bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)?
The IUPAC name of bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine) (CID 173291524) is bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine).
What is the SMILES notation for bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)?
The canonical SMILES for bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine) is CCN1CCC(=NO)CC1.CCN1CCC(=NO)CC1.CNC.CNC.
What is the InChIKey of bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)?
The InChIKey is FMAHROQRNCIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2O.2C2H7N/c2*1-2-9-5-3-7(8-10)4-6-9;2*1-3-2/h2*10H,2-6H2,1H3;2*3H,1-2H3.
What are the key properties of bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)?
bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine) has a molecular weight of 374.57 g/mol, XLogP of 1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine) is sourced from PubChem (CID 173291524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).