1-piperidin-1-yl-2-propan-2-ylguanidine

C9H20N4 — CID 83026670

IUPAC1-piperidin-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NN1CCCCC1
InChIInChI=1S/C9H20N4/c1-8(2)11-9(10)12-13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyJRRDMWFJEGXWER-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.70
Rot. Bonds2

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

1-piperidin-1-yl-2-propan-2-ylguanidine (PubChem CID 83026670) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-piperidin-1-yl-2-propan-2-ylguanidine
PubChem CID83026670
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-piperidin-1-yl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NN1CCCCC1
InChIInChI=1S/C9H20N4/c1-8(2)11-9(10)12-13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyJRRDMWFJEGXWER-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine
CID 104887948
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
1-(1-methylcyclohexyl)-2-propan-2-ylguanidine
CID 62380383
3-amino-2-methyl-N-piperidin-1-ylpropanamide
CID 83014321
N-piperidin-1-ylcyclohexanecarboxamide
CID 17164620
pyrrolidin-1-ylurea;hydrate
CID 141393036
2-bromo-3-methyl-N-piperidin-1-ylbutanamide
CID 83012008
3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
CID 107033871
carbamodithioic acid;pyrrolidin-1-ylcarbamodithioic acid
CID 87109326
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
sodium;carbamothioic S-acid;hydride;piperidin-1-ylcarbamothioic S-acid
CID 173214577

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-propan-2-ylguanidine?
The IUPAC name of 1-piperidin-1-yl-2-propan-2-ylguanidine (CID 83026670) is 1-piperidin-1-yl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-piperidin-1-yl-2-propan-2-ylguanidine?
The canonical SMILES for 1-piperidin-1-yl-2-propan-2-ylguanidine is CC(C)/N=C(\N)NN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-propan-2-ylguanidine?
The InChIKey is JRRDMWFJEGXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-8(2)11-9(10)12-13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-piperidin-1-yl-2-propan-2-ylguanidine?
1-piperidin-1-yl-2-propan-2-ylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-propan-2-ylguanidine is sourced from PubChem (CID 83026670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).