1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine

C11H18N4O — CID 3050774

IUPAC1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine
SMILESCCC(CC)/N=C(\NO)Nc1cccnc1
InChIInChI=1S/C11H18N4O/c1-3-9(4-2)13-11(15-16)14-10-6-5-7-12-8-10/h5-9,16H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyYEIVCWBLJPAKRQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds4

About 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine

1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine (PubChem CID 3050774) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine
PubChem CID3050774
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine
SMILESCCC(CC)/N=C(\NO)Nc1cccnc1
InChIInChI=1S/C11H18N4O/c1-3-9(4-2)13-11(15-16)14-10-6-5-7-12-8-10/h5-9,16H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyYEIVCWBLJPAKRQ-UHFFFAOYSA-N
XLogP2.02
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

4-chloro-N-[1-[(Z)-[(hydroxyamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethylpropyl]benzamide
CID 87797173
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
2-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111891253
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
methyl 2-(pyridin-3-ylcarbamoyl)butanoate
CID 115187840
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
1-cyano-2-[(2S)-3,3-dimethylbutan-2-yl]-3-pyridin-3-ylguanidine
CID 14443568
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
N-(2-methylbutyl)pyridin-3-amine
CID 43200734
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine?
The IUPAC name of 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine (CID 3050774) is 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine is CCC(CC)/N=C(\NO)Nc1cccnc1.
What is the InChIKey of 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine?
The InChIKey is YEIVCWBLJPAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9(4-2)13-11(15-16)14-10-6-5-7-12-8-10/h5-9,16H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine?
1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine has a molecular weight of 222.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine is sourced from PubChem (CID 3050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).