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

C9H21N5 — CID 91228710

IUPAC2-(3-piperidin-1-ylpropylamino)guanidine
SMILESNC(N)=NNCCCN1CCCCC1
InChIInChI=1S/C9H21N5/c10-9(11)13-12-5-4-8-14-6-2-1-3-7-14/h12H,1-8H2,(H4,10,11,13)
InChIKeyGSKMQPYKBOQFIM-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.36
Rot. Bonds5

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

2-(3-piperidin-1-ylpropylamino)guanidine (PubChem CID 91228710) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropylamino)guanidine.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropylamino)guanidine
PubChem CID91228710
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name2-(3-piperidin-1-ylpropylamino)guanidine
SMILESNC(N)=NNCCCN1CCCCC1
InChIInChI=1S/C9H21N5/c10-9(11)13-12-5-4-8-14-6-2-1-3-7-14/h12H,1-8H2,(H4,10,11,13)
InChIKeyGSKMQPYKBOQFIM-UHFFFAOYSA-N
XLogP-0.36
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.36
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-pyrrolidin-1-ylpropylamino)guanidine
CID 90844652
1-[3-(azepan-1-yl)propyl]-2-methylguanidine
CID 110913648
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropylamino)guanidine?
The IUPAC name of 2-(3-piperidin-1-ylpropylamino)guanidine (CID 91228710) is 2-(3-piperidin-1-ylpropylamino)guanidine.
What is the SMILES notation for 2-(3-piperidin-1-ylpropylamino)guanidine?
The canonical SMILES for 2-(3-piperidin-1-ylpropylamino)guanidine is NC(N)=NNCCCN1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropylamino)guanidine?
The InChIKey is GSKMQPYKBOQFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c10-9(11)13-12-5-4-8-14-6-2-1-3-7-14/h12H,1-8H2,(H4,10,11,13).
What are the key properties of 2-(3-piperidin-1-ylpropylamino)guanidine?
2-(3-piperidin-1-ylpropylamino)guanidine has a molecular weight of 199.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropylamino)guanidine is sourced from PubChem (CID 91228710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).