dimethyl(pyrrolidin-3-ylmethylidene)azanium

C7H15N2+ — CID 91358059

IUPACdimethyl(pyrrolidin-3-ylmethylidene)azanium
SMILESC[N+](C)=CC1CCNC1
InChIInChI=1S/C7H15N2/c1-9(2)6-7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/q+1
InChIKeyXLDHOIWXKOPEJC-UHFFFAOYSA-N
MW127.21 g/mol
LogP-0.06
Rot. Bonds1

About dimethyl(pyrrolidin-3-ylmethylidene)azanium

dimethyl(pyrrolidin-3-ylmethylidene)azanium (PubChem CID 91358059) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is dimethyl(pyrrolidin-3-ylmethylidene)azanium.

Molecular Properties

Compound Namedimethyl(pyrrolidin-3-ylmethylidene)azanium
PubChem CID91358059
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Namedimethyl(pyrrolidin-3-ylmethylidene)azanium
SMILESC[N+](C)=CC1CCNC1
InChIInChI=1S/C7H15N2/c1-9(2)6-7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/q+1
InChIKeyXLDHOIWXKOPEJC-UHFFFAOYSA-N
XLogP-0.06
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 5-0.06
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 dimethyl(pyrrolidin-3-ylmethylidene)azanium?
The IUPAC name of dimethyl(pyrrolidin-3-ylmethylidene)azanium (CID 91358059) is dimethyl(pyrrolidin-3-ylmethylidene)azanium.
What is the SMILES notation for dimethyl(pyrrolidin-3-ylmethylidene)azanium?
The canonical SMILES for dimethyl(pyrrolidin-3-ylmethylidene)azanium is C[N+](C)=CC1CCNC1.
What is the InChIKey of dimethyl(pyrrolidin-3-ylmethylidene)azanium?
The InChIKey is XLDHOIWXKOPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-9(2)6-7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/q+1.
What are the key properties of dimethyl(pyrrolidin-3-ylmethylidene)azanium?
dimethyl(pyrrolidin-3-ylmethylidene)azanium has a molecular weight of 127.21 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(pyrrolidin-3-ylmethylidene)azanium is sourced from PubChem (CID 91358059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).