cyclopropylmethyl(methanidyl)azanium

C5H11N — CID 23378720

IUPACcyclopropylmethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC1CC1
InChIInChI=1S/C5H11N/c1-6-4-5-2-3-5/h5H,1-4,6H2
InChIKeyKZGGSBDKCBDBCB-UHFFFAOYSA-N
MW85.15 g/mol
LogP-0.25
Rot. Bonds2

About cyclopropylmethyl(methanidyl)azanium

cyclopropylmethyl(methanidyl)azanium (PubChem CID 23378720) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is cyclopropylmethyl(methanidyl)azanium.

Molecular Properties

Compound Namecyclopropylmethyl(methanidyl)azanium
PubChem CID23378720
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Namecyclopropylmethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC1CC1
InChIInChI=1S/C5H11N/c1-6-4-5-2-3-5/h5H,1-4,6H2
InChIKeyKZGGSBDKCBDBCB-UHFFFAOYSA-N
XLogP-0.25
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl(methanidyl)azanium?
The IUPAC name of cyclopropylmethyl(methanidyl)azanium (CID 23378720) is cyclopropylmethyl(methanidyl)azanium.
What is the SMILES notation for cyclopropylmethyl(methanidyl)azanium?
The canonical SMILES for cyclopropylmethyl(methanidyl)azanium is [CH2-][NH2+]CC1CC1.
What is the InChIKey of cyclopropylmethyl(methanidyl)azanium?
The InChIKey is KZGGSBDKCBDBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-6-4-5-2-3-5/h5H,1-4,6H2.
What are the key properties of cyclopropylmethyl(methanidyl)azanium?
cyclopropylmethyl(methanidyl)azanium has a molecular weight of 85.15 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl(methanidyl)azanium is sourced from PubChem (CID 23378720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).