amino-cyclopropyl-ethyl-methylazanium

C6H15N2+ — CID 163665569

IUPACamino-cyclopropyl-ethyl-methylazanium
SMILESCC[N+](C)(N)C1CC1
InChIInChI=1S/C6H15N2/c1-3-8(2,7)6-4-5-6/h6H,3-5,7H2,1-2H3/q+1
InChIKeyIMVWPWACEIDPKB-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.49
Rot. Bonds2

About amino-cyclopropyl-ethyl-methylazanium

amino-cyclopropyl-ethyl-methylazanium (PubChem CID 163665569) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is amino-cyclopropyl-ethyl-methylazanium.

Molecular Properties

Compound Nameamino-cyclopropyl-ethyl-methylazanium
PubChem CID163665569
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Nameamino-cyclopropyl-ethyl-methylazanium
SMILESCC[N+](C)(N)C1CC1
InChIInChI=1S/C6H15N2/c1-3-8(2,7)6-4-5-6/h6H,3-5,7H2,1-2H3/q+1
InChIKeyIMVWPWACEIDPKB-UHFFFAOYSA-N
XLogP0.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-cyclopropyl-ethyl-methylazanium?
The IUPAC name of amino-cyclopropyl-ethyl-methylazanium (CID 163665569) is amino-cyclopropyl-ethyl-methylazanium.
What is the SMILES notation for amino-cyclopropyl-ethyl-methylazanium?
The canonical SMILES for amino-cyclopropyl-ethyl-methylazanium is CC[N+](C)(N)C1CC1.
What is the InChIKey of amino-cyclopropyl-ethyl-methylazanium?
The InChIKey is IMVWPWACEIDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2/c1-3-8(2,7)6-4-5-6/h6H,3-5,7H2,1-2H3/q+1.
What are the key properties of amino-cyclopropyl-ethyl-methylazanium?
amino-cyclopropyl-ethyl-methylazanium has a molecular weight of 115.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-cyclopropyl-ethyl-methylazanium is sourced from PubChem (CID 163665569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).