N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine

C16H33N3O — CID 18002145

IUPACN-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
SMILESCCCCN(CCCC)CCCN1CCC(=NO)CC1
InChIInChI=1S/C16H33N3O/c1-3-5-10-18(11-6-4-2)12-7-13-19-14-8-16(17-20)9-15-19/h20H,3-15H2,1-2H3
InChIKeyOTQNLRZEQLGWLH-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.20
Rot. Bonds10

About N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine

N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 18002145) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
PubChem CID18002145
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
SMILESCCCCN(CCCC)CCCN1CCC(=NO)CC1
InChIInChI=1S/C16H33N3O/c1-3-5-10-18(11-6-4-2)12-7-13-19-14-8-16(17-20)9-15-19/h20H,3-15H2,1-2H3
InChIKeyOTQNLRZEQLGWLH-UHFFFAOYSA-N
XLogP3.20
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-butylpiperidin-4-ylidene)hydroxylamine
CID 18002055
N-(1-butylpyrrolidin-3-ylidene)hydroxylamine
CID 131858556
N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
CID 18001674
N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
CID 81106852
1-[3-(dipropylamino)propyl]piperidin-4-one
CID 18001996
N-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 63389180
N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
CID 142586854
bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
CID 173291524
N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
CID 18002226
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine
CID 134179668

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine (CID 18002145) is N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine is CCCCN(CCCC)CCCN1CCC(=NO)CC1.
What is the InChIKey of N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is OTQNLRZEQLGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-5-10-18(11-6-4-2)12-7-13-19-14-8-16(17-20)9-15-19/h20H,3-15H2,1-2H3.
What are the key properties of N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 283.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 18002145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).