4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide

C13H19N3O — CID 54995198

IUPAC4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CC2)c(C)c1
InChIInChI=1S/C13H19N3O/c1-9-8-10(13(14)15)2-5-12(9)16(6-7-17)11-3-4-11/h2,5,8,11,17H,3-4,6-7H2,1H3,(H3,14,15)
InChIKeyVYZVZDKQKKSHFX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.24
Rot. Bonds5

About 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide

4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 54995198) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID54995198
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CC2)c(C)c1
InChIInChI=1S/C13H19N3O/c1-9-8-10(13(14)15)2-5-12(9)16(6-7-17)11-3-4-11/h2,5,8,11,17H,3-4,6-7H2,1H3,(H3,14,15)
InChIKeyVYZVZDKQKKSHFX-UHFFFAOYSA-N
XLogP1.24
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.24
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

3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
3-bromo-4-[butyl(cyclopropyl)amino]benzenecarboximidamide
CID 82800265
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzonitrile
CID 61145884
3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide
CID 64521360
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (CID 54995198) is 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCO)C2CC2)c(C)c1.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is VYZVZDKQKKSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-10(13(14)15)2-5-12(9)16(6-7-17)11-3-4-11/h2,5,8,11,17H,3-4,6-7H2,1H3,(H3,14,15).
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 54995198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).