1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine

C9H21N5 — CID 104887948

IUPAC1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)NN1CCCCC1
InChIInChI=1S/C9H21N5/c1-8(2)11-9(12-10)13-14-6-4-3-5-7-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyQACHUDKTGQWHRZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.20
Rot. Bonds2

About 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine

1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine (PubChem CID 104887948) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine
PubChem CID104887948
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)NN1CCCCC1
InChIInChI=1S/C9H21N5/c1-8(2)11-9(12-10)13-14-6-4-3-5-7-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyQACHUDKTGQWHRZ-UHFFFAOYSA-N
XLogP0.20
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

1-piperidin-1-yl-2-propan-2-ylguanidine
CID 83026670
1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine
CID 104887927
3-amino-2-methyl-N-piperidin-1-ylpropanamide
CID 83014321
1,2,3-tri(propan-2-yl)guanidine
CID 547015
2-bromo-3-methyl-N-piperidin-1-ylbutanamide
CID 83012008
3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
CID 107033871
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
N-amino-3,5-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104883211
N-pyrrolidin-1-ylacetamide
CID 22023174
1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
CID 104888216
N-amino-N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 104884122

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine?
The IUPAC name of 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine (CID 104887948) is 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine?
The canonical SMILES for 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine is CC(C)/N=C(\NN)NN1CCCCC1.
What is the InChIKey of 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine?
The InChIKey is QACHUDKTGQWHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-8(2)11-9(12-10)13-14-6-4-3-5-7-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine?
1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine is sourced from PubChem (CID 104887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).