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

C14H23N3O — CID 61446127

IUPAC4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)CCCC)c(C)c1
InChIInChI=1S/C14H23N3O/c1-3-4-7-17(8-9-18)13-6-5-12(14(15)16)10-11(13)2/h5-6,10,18H,3-4,7-9H2,1-2H3,(H3,15,16)
InChIKeyVIWZPYFICKUTNN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.88
Rot. Bonds7

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

4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 61446127) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID61446127
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)CCCC)c(C)c1
InChIInChI=1S/C14H23N3O/c1-3-4-7-17(8-9-18)13-6-5-12(14(15)16)10-11(13)2/h5-6,10,18H,3-4,7-9H2,1-2H3,(H3,15,16)
InChIKeyVIWZPYFICKUTNN-UHFFFAOYSA-N
XLogP1.88
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.88
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'}

Analyze 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide (CID 61446127) is 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCO)CCCC)c(C)c1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is VIWZPYFICKUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-7-17(8-9-18)13-6-5-12(14(15)16)10-11(13)2/h5-6,10,18H,3-4,7-9H2,1-2H3,(H3,15,16).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide?
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 61446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).