N-oxido-N-phosphanylcyclopropanamine

C3H7NOP- — CID 163809750

IUPACN-oxido-N-phosphanylcyclopropanamine
SMILES[O-]N(P)C1CC1
InChIInChI=1S/C3H7NOP/c5-4(6)3-1-2-3/h3H,1-2,6H2/q-1
InChIKeyZLBZUNRGKXXTRM-UHFFFAOYSA-N
MW104.07 g/mol
LogP0.74
Rot. Bonds1

About N-oxido-N-phosphanylcyclopropanamine

N-oxido-N-phosphanylcyclopropanamine (PubChem CID 163809750) has the molecular formula C3H7NOP- and a molecular weight of 104.07 g/mol. Its IUPAC name is N-oxido-N-phosphanylcyclopropanamine.

Molecular Properties

Compound NameN-oxido-N-phosphanylcyclopropanamine
PubChem CID163809750
Molecular FormulaC3H7NOP-
Molecular Weight104.07 g/mol
Exact Mass104.03
IUPAC NameN-oxido-N-phosphanylcyclopropanamine
SMILES[O-]N(P)C1CC1
InChIInChI=1S/C3H7NOP/c5-4(6)3-1-2-3/h3H,1-2,6H2/q-1
InChIKeyZLBZUNRGKXXTRM-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.07
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine
CID 163645688
4-[diphosphanyl(phosphanyl)amino]cyclohexan-1-ol
CID 88576749
N-[ethenyl(oxido)amino]oxy-N-methylcyclopropanamine
CID 163886195
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
N-cyclopropyl-N-(cyclopropylmethyl)ethanesulfonamide
CID 63103163
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
bicyclo[2.2.2]octane
CID 9235
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine
CID 43264303
N-cyclopropyl-N-pentylcyclopropanamine
CID 91246836

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-phosphanylcyclopropanamine?
The IUPAC name of N-oxido-N-phosphanylcyclopropanamine (CID 163809750) is N-oxido-N-phosphanylcyclopropanamine.
What is the SMILES notation for N-oxido-N-phosphanylcyclopropanamine?
The canonical SMILES for N-oxido-N-phosphanylcyclopropanamine is [O-]N(P)C1CC1.
What is the InChIKey of N-oxido-N-phosphanylcyclopropanamine?
The InChIKey is ZLBZUNRGKXXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOP/c5-4(6)3-1-2-3/h3H,1-2,6H2/q-1.
What are the key properties of N-oxido-N-phosphanylcyclopropanamine?
N-oxido-N-phosphanylcyclopropanamine has a molecular weight of 104.07 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-phosphanylcyclopropanamine is sourced from PubChem (CID 163809750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).