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

C12H19N3O2 — CID 62308815

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CCO)CCO
InChIInChI=1S/C12H19N3O2/c1-9-2-3-10(12(13)14)11(8-9)15(4-6-16)5-7-17/h2-3,8,16-17H,4-7H2,1H3,(H3,13,14)
InChIKeyJRZLWRPBBBRMQO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.07
Rot. Bonds6

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

2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide (PubChem CID 62308815) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
PubChem CID62308815
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CCO)CCO
InChIInChI=1S/C12H19N3O2/c1-9-2-3-10(12(13)14)11(8-9)15(4-6-16)5-7-17/h2-3,8,16-17H,4-7H2,1H3,(H3,13,14)
InChIKeyJRZLWRPBBBRMQO-UHFFFAOYSA-N
XLogP0.07
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.07
H-Bond Donors ≤ 54
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-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
CID 62308130
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
CID 62307762
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide (CID 62308815) is 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is JRZLWRPBBBRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-2-3-10(12(13)14)11(8-9)15(4-6-16)5-7-17/h2-3,8,16-17H,4-7H2,1H3,(H3,13,14).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide?
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 237.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).