4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide

C14H22N4O — CID 63880680

IUPAC4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(CCO)C2CCCC2)ccn1
InChIInChI=1S/C14H22N4O/c15-14(16)13-9-11(5-6-17-13)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2,(H3,15,16)
InChIKeyBKKPHIJLPAAECR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.10
Rot. Bonds6

About 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide

4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 63880680) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID63880680
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(CCO)C2CCCC2)ccn1
InChIInChI=1S/C14H22N4O/c15-14(16)13-9-11(5-6-17-13)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2,(H3,15,16)
InChIKeyBKKPHIJLPAAECR-UHFFFAOYSA-N
XLogP1.10
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 107480262
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
CID 102870554
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarboximidamide
CID 54995345
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide (CID 63880680) is 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN(CCO)C2CCCC2)ccn1.
What is the InChIKey of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is BKKPHIJLPAAECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-14(16)13-9-11(5-6-17-13)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2,(H3,15,16).
What are the key properties of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63880680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).