2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide

C14H22N4O — CID 54994659

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCO)C2CCCCC2)c1
InChIInChI=1S/C14H22N4O/c15-14(16)11-6-7-17-13(10-11)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H3,15,16)
InChIKeyLJDRVEJETMSWNY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.50
Rot. Bonds5

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

2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide (PubChem CID 54994659) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
PubChem CID54994659
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCO)C2CCCCC2)c1
InChIInChI=1S/C14H22N4O/c15-14(16)11-6-7-17-13(10-11)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H3,15,16)
InChIKeyLJDRVEJETMSWNY-UHFFFAOYSA-N
XLogP1.50
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.50
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

2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
CID 55104553
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide (CID 54994659) is 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCO)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide?
The InChIKey is LJDRVEJETMSWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-14(16)11-6-7-17-13(10-11)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H3,15,16).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide?
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 54994659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).