N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine

C11H24N4O3 — CID 87842996

IUPACN-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine
SMILESCCCN(CC(C)O)N=O.O=NN1CCCCC1
InChIInChI=1S/C6H14N2O2.C5H10N2O/c1-3-4-8(7-10)5-6(2)9;8-6-7-4-2-1-3-5-7/h6,9H,3-5H2,1-2H3;1-5H2
InChIKeyNUEACAPDQLWVTK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds6

About N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine

N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine (PubChem CID 87842996) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine
PubChem CID87842996
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC NameN-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine
SMILESCCCN(CC(C)O)N=O.O=NN1CCCCC1
InChIInChI=1S/C6H14N2O2.C5H10N2O/c1-3-4-8(7-10)5-6(2)9;8-6-7-4-2-1-3-5-7/h6,9H,3-5H2,1-2H3;1-5H2
InChIKeyNUEACAPDQLWVTK-UHFFFAOYSA-N
XLogP1.91
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Nitroso-3-piperidinol
CID 41466
N-(2-hydroxypentyl)-N-pentylnitrous amide
CID 187179
1-[Bis(2-hydroxyethyl)amino]piperidin-4-ol
CID 21973791
1-[2-Hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol
CID 68843341
1-[Bis(1-hydroxyethyl)amino]piperidin-4-ol
CID 69592740
2-[Methyl(piperidin-1-yl)amino]ethanol
CID 174739205
(S)-1-Nitrosopiperidin-3-ol-d4
CID 169444919
(S)-1-Nitrosopiperidin-3-ol
CID 172967732
(R)-1-Nitrosopiperidin-3-ol
CID 177820108

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine?
The IUPAC name of N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine (CID 87842996) is N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine.
What is the SMILES notation for N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine?
The canonical SMILES for N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine is CCCN(CC(C)O)N=O.O=NN1CCCCC1.
What is the InChIKey of N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine?
The InChIKey is NUEACAPDQLWVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H10N2O/c1-3-4-8(7-10)5-6(2)9;8-6-7-4-2-1-3-5-7/h6,9H,3-5H2,1-2H3;1-5H2.
What are the key properties of N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine?
N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine has a molecular weight of 260.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-propylnitrous amide;1-nitrosopiperidine is sourced from PubChem (CID 87842996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).