N-(1-butylpiperidin-4-ylidene)hydroxylamine

C9H18N2O — CID 18002055

IUPACN-(1-butylpiperidin-4-ylidene)hydroxylamine
SMILESCCCCN1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-7-4-9(10-12)5-8-11/h12H,2-8H2,1H3
InChIKeyKLQXEYVPTAQINT-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.71
Rot. Bonds3

About N-(1-butylpiperidin-4-ylidene)hydroxylamine

N-(1-butylpiperidin-4-ylidene)hydroxylamine (PubChem CID 18002055) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-ylidene)hydroxylamine
PubChem CID18002055
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-butylpiperidin-4-ylidene)hydroxylamine
SMILESCCCCN1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-7-4-9(10-12)5-8-11/h12H,2-8H2,1H3
InChIKeyKLQXEYVPTAQINT-UHFFFAOYSA-N
XLogP1.71
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.71
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-(1-butylpyrrolidin-3-ylidene)hydroxylamine
CID 131858556
N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
CID 18002145
N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
CID 18001674
N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
CID 81106852
bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
CID 173291524
butane;1-butylpiperidin-4-one
CID 177152756
N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
CID 18002226
N-(1-decyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104931044
1-butylazetidine;ethane
CID 143628082
1-pentadecylpiperidin-4-one
CID 10267366
1-butylpyrrolidin-3-one
CID 23052762

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-butylpiperidin-4-ylidene)hydroxylamine (CID 18002055) is N-(1-butylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-butylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-butylpiperidin-4-ylidene)hydroxylamine is CCCCN1CCC(=NO)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is KLQXEYVPTAQINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-6-11-7-4-9(10-12)5-8-11/h12H,2-8H2,1H3.
What are the key properties of N-(1-butylpiperidin-4-ylidene)hydroxylamine?
N-(1-butylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 170.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 18002055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).