2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide

C14H21N3O — CID 102863021

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CCO)C1CCC1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(9-10)17(7-8-18)11-3-2-4-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H3,15,16)
InChIKeyHTLMZADFZRZPNX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.63
Rot. Bonds5

About 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide

2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide (PubChem CID 102863021) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
PubChem CID102863021
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CCO)C1CCC1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(9-10)17(7-8-18)11-3-2-4-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H3,15,16)
InChIKeyHTLMZADFZRZPNX-UHFFFAOYSA-N
XLogP1.63
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.63
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-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide (CID 102863021) is 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is HTLMZADFZRZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(9-10)17(7-8-18)11-3-2-4-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H3,15,16).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 102863021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).