2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide

C14H23N3 — CID 24698282

IUPAC2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(CC)CCCC
InChIInChI=1S/C14H23N3/c1-3-5-10-17(4-2)11-12-8-6-7-9-13(12)14(15)16/h6-9H,3-5,10-11H2,1-2H3,(H3,15,16)
InChIKeyAMPUFXCPDLMPJQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.59
Rot. Bonds7

About 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide

2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide (PubChem CID 24698282) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
PubChem CID24698282
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(CC)CCCC
InChIInChI=1S/C14H23N3/c1-3-5-10-17(4-2)11-12-8-6-7-9-13(12)14(15)16/h6-9H,3-5,10-11H2,1-2H3,(H3,15,16)
InChIKeyAMPUFXCPDLMPJQ-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
CID 107117720
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 54994276
3-[[2-(dimethylamino)ethyl-propylamino]methyl]-2-fluorobenzenecarboximidamide
CID 107117880
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
CID 24704653
3-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 55128126
2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide (CID 24698282) is 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN(CC)CCCC.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is AMPUFXCPDLMPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-5-10-17(4-2)11-12-8-6-7-9-13(12)14(15)16/h6-9H,3-5,10-11H2,1-2H3,(H3,15,16).
What are the key properties of 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide?
2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 24698282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).