methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium

C8H17N2+ — CID 91506973

IUPACmethyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium
SMILESC=[N+](C)C(C)C1CCNC1
InChIInChI=1S/C8H17N2/c1-7(10(2)3)8-4-5-9-6-8/h7-9H,2,4-6H2,1,3H3/q+1
InChIKeyKAXVQBGEJFGCPC-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.33
Rot. Bonds2

About methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium

methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium (PubChem CID 91506973) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium
PubChem CID91506973
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Namemethyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium
SMILESC=[N+](C)C(C)C1CCNC1
InChIInChI=1S/C8H17N2/c1-7(10(2)3)8-4-5-9-6-8/h7-9H,2,4-6H2,1,3H3/q+1
InChIKeyKAXVQBGEJFGCPC-UHFFFAOYSA-N
XLogP0.33
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium?
The IUPAC name of methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium (CID 91506973) is methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium.
What is the SMILES notation for methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium?
The canonical SMILES for methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium is C=[N+](C)C(C)C1CCNC1.
What is the InChIKey of methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium?
The InChIKey is KAXVQBGEJFGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-7(10(2)3)8-4-5-9-6-8/h7-9H,2,4-6H2,1,3H3/q+1.
What are the key properties of methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium?
methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium has a molecular weight of 141.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(1-pyrrolidin-3-ylethyl)azanium is sourced from PubChem (CID 91506973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).