cyclopropylmethylazanium

C4H10N+ — CID 6994192

IUPACcyclopropylmethylazanium
SMILES[NH3+]CC1CC1
InChIInChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2/p+1
InChIKeyIGSKHXTUVXSOMB-UHFFFAOYSA-O
MW72.13 g/mol
LogP-0.36
Rot. Bonds1

About cyclopropylmethylazanium

cyclopropylmethylazanium (PubChem CID 6994192) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is cyclopropylmethylazanium.

Molecular Properties

Compound Namecyclopropylmethylazanium
PubChem CID6994192
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Namecyclopropylmethylazanium
SMILES[NH3+]CC1CC1
InChIInChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2/p+1
InChIKeyIGSKHXTUVXSOMB-UHFFFAOYSA-O
XLogP-0.36
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylazanium?
The IUPAC name of cyclopropylmethylazanium (CID 6994192) is cyclopropylmethylazanium.
What is the SMILES notation for cyclopropylmethylazanium?
The canonical SMILES for cyclopropylmethylazanium is [NH3+]CC1CC1.
What is the InChIKey of cyclopropylmethylazanium?
The InChIKey is IGSKHXTUVXSOMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2/p+1.
What are the key properties of cyclopropylmethylazanium?
cyclopropylmethylazanium has a molecular weight of 72.13 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylazanium is sourced from PubChem (CID 6994192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).