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

C8H16N3+ — CID 11206275

IUPACN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
SMILESC=CCNC(N)=[N+]1CCCC1
InChIInChI=1S/C8H15N3/c1-2-5-10-8(9)11-6-3-4-7-11/h2H,1,3-7H2,(H2,9,10)/p+1
InChIKeyLKGHSXDMCISSLR-UHFFFAOYSA-O
MW154.24 g/mol
LogP-0.12
Rot. Bonds2

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

N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine (PubChem CID 11206275) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine.

Molecular Properties

Compound NameN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
PubChem CID11206275
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC NameN'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
SMILESC=CCNC(N)=[N+]1CCCC1
InChIInChI=1S/C8H15N3/c1-2-5-10-8(9)11-6-3-4-7-11/h2H,1,3-7H2,(H2,9,10)/p+1
InChIKeyLKGHSXDMCISSLR-UHFFFAOYSA-O
XLogP-0.12
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 5-0.12
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-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
N,N-bis(prop-2-enyl)pyrrolidin-2-amine
CID 19937150
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
CID 54502985
2-(1-Pyrrolidin-1-ylprop-2-enyl)guanidine
CID 70358009
[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium
CID 87204776
[[Bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium
CID 87204778
N'-methyl-N-prop-2-enylpyrrolidine-1-carboximidamide
CID 124175145
2-Pyrrolidin-1-yl-1,4-dihydropyrimidine
CID 173057043
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride
CID 11206274
N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 20383385

Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine?
The IUPAC name of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine (CID 11206275) is N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine.
What is the SMILES notation for N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine?
The canonical SMILES for N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine is C=CCNC(N)=[N+]1CCCC1.
What is the InChIKey of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine?
The InChIKey is LKGHSXDMCISSLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N3/c1-2-5-10-8(9)11-6-3-4-7-11/h2H,1,3-7H2,(H2,9,10)/p+1.
What are the key properties of N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine?
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine has a molecular weight of 154.24 g/mol, XLogP of -0.12, 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 is sourced from PubChem (CID 11206275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).