N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride

C8H16ClN3 — CID 11206274

IUPACN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride
SMILESC=CCNC(N)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C8H15N3.ClH/c1-2-5-10-8(9)11-6-3-4-7-11;/h2H,1,3-7H2,(H2,9,10);1H
InChIKeyDMPFYLFDTLCJCT-UHFFFAOYSA-N
MW189.69 g/mol
LogP-3.11
Rot. Bonds2

About N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride

N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride (PubChem CID 11206274) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride.

Molecular Properties

Compound NameN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride
PubChem CID11206274
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC NameN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride
SMILESC=CCNC(N)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C8H15N3.ClH/c1-2-5-10-8(9)11-6-3-4-7-11;/h2H,1,3-7H2,(H2,9,10);1H
InChIKeyDMPFYLFDTLCJCT-UHFFFAOYSA-N
XLogP-3.11
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 5-3.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
2-(1-Pyrrolidin-1-ylprop-2-enyl)guanidine
CID 70358009
N'-methyl-N-prop-2-enylpyrrolidine-1-carboximidamide
CID 124175145
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
CID 11206275
N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 20383385
N-ethyl-3,3-dimethyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 99848180
2-Methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980071
1-Ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980073
2-Methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
CID 110980177
1-Ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 110980179
2-Methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110980496

Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride?
The IUPAC name of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride (CID 11206274) is N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride.
What is the SMILES notation for N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride?
The canonical SMILES for N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride is C=CCNC(N)=[N+]1CCCC1.[Cl-].
What is the InChIKey of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride?
The InChIKey is DMPFYLFDTLCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-2-5-10-8(9)11-6-3-4-7-11;/h2H,1,3-7H2,(H2,9,10);1H.
What are the key properties of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride?
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride has a molecular weight of 189.69 g/mol, XLogP of -3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride is sourced from PubChem (CID 11206274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).