4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide

C14H23N3 — CID 54933264

IUPAC4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CCCC)c(C)c1
InChIInChI=1S/C14H23N3/c1-4-6-9-17(5-2)13-8-7-12(14(15)16)10-11(13)3/h7-8,10H,4-6,9H2,1-3H3,(H3,15,16)
InChIKeyVFOUDLSDAITLSX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.91
Rot. Bonds6

About 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide

4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 54933264) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID54933264
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CCCC)c(C)c1
InChIInChI=1S/C14H23N3/c1-4-6-9-17(5-2)13-8-7-12(14(15)16)10-11(13)3/h7-8,10H,4-6,9H2,1-3H3,(H3,15,16)
InChIKeyVFOUDLSDAITLSX-UHFFFAOYSA-N
XLogP2.91
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.91
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

4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide (CID 54933264) is 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)CCCC)c(C)c1.
What is the InChIKey of 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is VFOUDLSDAITLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-6-9-17(5-2)13-8-7-12(14(15)16)10-11(13)3/h7-8,10H,4-6,9H2,1-3H3,(H3,15,16).
What are the key properties of 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide?
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 54933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).