2-(3-pyrrolidin-1-ylpropylamino)guanidine

C8H19N5 — CID 90844652

IUPAC2-(3-pyrrolidin-1-ylpropylamino)guanidine
SMILESNC(N)=NNCCCN1CCCC1
InChIInChI=1S/C8H19N5/c9-8(10)12-11-4-3-7-13-5-1-2-6-13/h11H,1-7H2,(H4,9,10,12)
InChIKeyOMGUGQNUGJBUSV-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.75
Rot. Bonds5

About 2-(3-pyrrolidin-1-ylpropylamino)guanidine

2-(3-pyrrolidin-1-ylpropylamino)guanidine (PubChem CID 90844652) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylamino)guanidine.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylamino)guanidine
PubChem CID90844652
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name2-(3-pyrrolidin-1-ylpropylamino)guanidine
SMILESNC(N)=NNCCCN1CCCC1
InChIInChI=1S/C8H19N5/c9-8(10)12-11-4-3-7-13-5-1-2-6-13/h11H,1-7H2,(H4,9,10,12)
InChIKeyOMGUGQNUGJBUSV-UHFFFAOYSA-N
XLogP-0.75
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-1-ylpropylamino)guanidine
CID 91228710
1-[3-(azepan-1-yl)propyl]-2-methylguanidine
CID 110913648
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991903
3-pyrrolidin-1-ylpropyl N'-aminocarbamimidothioate
CID 77060950
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)guanidine?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)guanidine (CID 90844652) is 2-(3-pyrrolidin-1-ylpropylamino)guanidine.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylamino)guanidine?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylamino)guanidine is NC(N)=NNCCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylamino)guanidine?
The InChIKey is OMGUGQNUGJBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c9-8(10)12-11-4-3-7-13-5-1-2-6-13/h11H,1-7H2,(H4,9,10,12).
What are the key properties of 2-(3-pyrrolidin-1-ylpropylamino)guanidine?
2-(3-pyrrolidin-1-ylpropylamino)guanidine has a molecular weight of 185.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropylamino)guanidine is sourced from PubChem (CID 90844652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).