(1-aminocyclopropyl)methyloxidanium

C4H10NO+ — CID 142376738

IUPAC(1-aminocyclopropyl)methyloxidanium
SMILESNC1(C[OH2+])CC1
InChIInChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2/p+1
InChIKeyOBMKZINZPBARIK-UHFFFAOYSA-O
MW88.13 g/mol
LogP-0.80
Rot. Bonds1

About (1-aminocyclopropyl)methyloxidanium

(1-aminocyclopropyl)methyloxidanium (PubChem CID 142376738) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is (1-aminocyclopropyl)methyloxidanium.

Molecular Properties

Compound Name(1-aminocyclopropyl)methyloxidanium
PubChem CID142376738
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name(1-aminocyclopropyl)methyloxidanium
SMILESNC1(C[OH2+])CC1
InChIInChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2/p+1
InChIKeyOBMKZINZPBARIK-UHFFFAOYSA-O
XLogP-0.80
TPSA48.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2-Amino-2-methyl-1-propanol
CID 11807
2-Amino-2-methylbutan-1-ol
CID 10154017
(1-Aminocyclopropyl)methanol
CID 14146220
(1-Aminocyclopropyl)methanol hydrochloride
CID 14146222
1-(1-Aminocyclopropyl)ethan-1-ol
CID 66935111
(2S)-2-Amino-2-methylbutan-1-ol
CID 42579762
2-(1-Aminocyclopropyl)ethanol
CID 12993138
(1-Hydroxy-2-methylpropan-2-yl)azanium
CID 4689313
2-Amino-2-methylpropanol-d6
CID 46780311
(1-Amino-2,2-difluorocyclopropyl)methanol
CID 112547554
2-Amino-2-methyl-1-propanol-d11
CID 117064450
CID 5473922
CID 5473922

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)methyloxidanium?
The IUPAC name of (1-aminocyclopropyl)methyloxidanium (CID 142376738) is (1-aminocyclopropyl)methyloxidanium.
What is the SMILES notation for (1-aminocyclopropyl)methyloxidanium?
The canonical SMILES for (1-aminocyclopropyl)methyloxidanium is NC1(C[OH2+])CC1.
What is the InChIKey of (1-aminocyclopropyl)methyloxidanium?
The InChIKey is OBMKZINZPBARIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2/p+1.
What are the key properties of (1-aminocyclopropyl)methyloxidanium?
(1-aminocyclopropyl)methyloxidanium has a molecular weight of 88.13 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)methyloxidanium is sourced from PubChem (CID 142376738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).