[amino(cyclopropylmethoxy)methylidene]azanium

C5H11N2O+ — CID 102073114

IUPAC[amino(cyclopropylmethoxy)methylidene]azanium
SMILESNC(=[NH2+])OCC1CC1
InChIInChI=1S/C5H10N2O/c6-5(7)8-3-4-1-2-4/h4H,1-3H2,(H3,6,7)/p+1
InChIKeyRDQWAFHWZJGWEI-UHFFFAOYSA-O
MW115.16 g/mol
LogP-1.51
Rot. Bonds2

About [amino(cyclopropylmethoxy)methylidene]azanium

[amino(cyclopropylmethoxy)methylidene]azanium (PubChem CID 102073114) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is [amino(cyclopropylmethoxy)methylidene]azanium.

Molecular Properties

Compound Name[amino(cyclopropylmethoxy)methylidene]azanium
PubChem CID102073114
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name[amino(cyclopropylmethoxy)methylidene]azanium
SMILESNC(=[NH2+])OCC1CC1
InChIInChI=1S/C5H10N2O/c6-5(7)8-3-4-1-2-4/h4H,1-3H2,(H3,6,7)/p+1
InChIKeyRDQWAFHWZJGWEI-UHFFFAOYSA-O
XLogP-1.51
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(cyclopropylmethoxy)methylidene]azanium?
The IUPAC name of [amino(cyclopropylmethoxy)methylidene]azanium (CID 102073114) is [amino(cyclopropylmethoxy)methylidene]azanium.
What is the SMILES notation for [amino(cyclopropylmethoxy)methylidene]azanium?
The canonical SMILES for [amino(cyclopropylmethoxy)methylidene]azanium is NC(=[NH2+])OCC1CC1.
What is the InChIKey of [amino(cyclopropylmethoxy)methylidene]azanium?
The InChIKey is RDQWAFHWZJGWEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2O/c6-5(7)8-3-4-1-2-4/h4H,1-3H2,(H3,6,7)/p+1.
What are the key properties of [amino(cyclopropylmethoxy)methylidene]azanium?
[amino(cyclopropylmethoxy)methylidene]azanium has a molecular weight of 115.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclopropylmethoxy)methylidene]azanium is sourced from PubChem (CID 102073114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).