N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine

C12H24N2O — CID 104931046

IUPACN-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine
SMILESCCCC(C)CN1CCC(=NO)C(C)C1
InChIInChI=1S/C12H24N2O/c1-4-5-10(2)8-14-7-6-12(13-15)11(3)9-14/h10-11,15H,4-9H2,1-3H3
InChIKeyMXIKUSUOHAEZBF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.59
Rot. Bonds4

About N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine

N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931046) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931046
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine
SMILESCCCC(C)CN1CCC(=NO)C(C)C1
InChIInChI=1S/C12H24N2O/c1-4-5-10(2)8-14-7-6-12(13-15)11(3)9-14/h10-11,15H,4-9H2,1-3H3
InChIKeyMXIKUSUOHAEZBF-UHFFFAOYSA-N
XLogP2.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.59
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

N-(3-methyl-1-pentan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 107895778
N-(1-decyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104931044
N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114200257
3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
CID 104931033
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
N-(1,3-dimethylpiperidin-4-ylidene)hydroxylamine
CID 3325353
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114224136
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
N-(1-cyclopentyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104930985
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501023

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine (CID 104931046) is N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine is CCCC(C)CN1CCC(=NO)C(C)C1.
What is the InChIKey of N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is MXIKUSUOHAEZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-10(2)8-14-7-6-12(13-15)11(3)9-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 212.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).