[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol

C6H14N3O+ — CID 72755724

IUPAC[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
SMILESNC(N)=[N+]1CCCC1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1
InChIKeyXKLXMNIZSMOGEF-UHFFFAOYSA-O
MW144.20 g/mol
LogP-1.57
Rot. Bonds1

About [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol

[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol (PubChem CID 72755724) has the molecular formula C6H14N3O+ and a molecular weight of 144.20 g/mol. Its IUPAC name is [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Name[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
PubChem CID72755724
Molecular FormulaC6H14N3O+
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
SMILESNC(N)=[N+]1CCCC1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1
InChIKeyXKLXMNIZSMOGEF-UHFFFAOYSA-O
XLogP-1.57
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
[(2S)-1-methylidenepyrrolidin-1-ium-2-yl]methanol
CID 152761406
[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol nitrate
CID 11217992
[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
CID 11217993
(S)-2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 12022521
[(2S)-1-(1-aminoethylidene)pyrrolidin-1-ium-2-yl]methanol iodide
CID 133616913
[(2S)-1-(1-aminoethylidene)pyrrolidin-1-ium-2-yl]methanol
CID 133616914
[1-[Bis(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol
CID 133632723
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium
CID 133633621
[1-[Amino(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol iodide
CID 133663072
[1-[Amino(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol
CID 133663073

Frequently Asked Questions

What is the IUPAC name of [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The IUPAC name of [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol (CID 72755724) is [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol.
What is the SMILES notation for [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The canonical SMILES for [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol is NC(N)=[N+]1CCCC1CO.
What is the InChIKey of [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The InChIKey is XKLXMNIZSMOGEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1.
What are the key properties of [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
[1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol has a molecular weight of 144.20 g/mol, XLogP of -1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol is sourced from PubChem (CID 72755724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).