2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide

C16H25N3O — CID 107110139

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CCO)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-14(16(17)18)15(12)19(10-11-20)13-7-3-2-4-8-13/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H3,17,18)
InChIKeyYQTRXKSGPRKETQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.41
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide

2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107110139) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107110139
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CCO)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-14(16(17)18)15(12)19(10-11-20)13-7-3-2-4-8-13/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H3,17,18)
InChIKeyYQTRXKSGPRKETQ-UHFFFAOYSA-N
XLogP2.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.41
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'}

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Related Compounds

2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117850

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (CID 107110139) is 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is YQTRXKSGPRKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-9-14(16(17)18)15(12)19(10-11-20)13-7-3-2-4-8-13/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H3,17,18).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).