4-formyl-N-methyl-N-pentylbenzenecarboximidamide

C14H20N2O — CID 142083581

IUPAC4-formyl-N-methyl-N-pentylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C=O)cc1)N(C)CCCCC
InChIInChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(15)13-8-6-12(11-17)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3/b15-14-
InChIKeyDOUDFFRYSWAYSO-PFONDFGASA-N
MW232.33 g/mol
LogP2.95
Rot. Bonds6

About 4-formyl-N-methyl-N-pentylbenzenecarboximidamide

4-formyl-N-methyl-N-pentylbenzenecarboximidamide (PubChem CID 142083581) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-formyl-N-methyl-N-pentylbenzenecarboximidamide.

Molecular Properties

Compound Name4-formyl-N-methyl-N-pentylbenzenecarboximidamide
PubChem CID142083581
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-formyl-N-methyl-N-pentylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C=O)cc1)N(C)CCCCC
InChIInChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(15)13-8-6-12(11-17)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3/b15-14-
InChIKeyDOUDFFRYSWAYSO-PFONDFGASA-N
XLogP2.95
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
4-nonanoylbenzaldehyde
CID 59691825
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
4-(dibutylamino)benzaldehyde
CID 605391
4-formyl-N-octylbenzamide
CID 59691779
hexadecyl 4-formylbenzoate
CID 13404983
4-formyl-N-tricosylbenzamide
CID 166066746
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
N-butyl-4-formylbenzamide
CID 118474745
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
4-formyl-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530389

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methyl-N-pentylbenzenecarboximidamide?
The IUPAC name of 4-formyl-N-methyl-N-pentylbenzenecarboximidamide (CID 142083581) is 4-formyl-N-methyl-N-pentylbenzenecarboximidamide.
What is the SMILES notation for 4-formyl-N-methyl-N-pentylbenzenecarboximidamide?
The canonical SMILES for 4-formyl-N-methyl-N-pentylbenzenecarboximidamide is [H]/N=C(/c1ccc(C=O)cc1)N(C)CCCCC.
What is the InChIKey of 4-formyl-N-methyl-N-pentylbenzenecarboximidamide?
The InChIKey is DOUDFFRYSWAYSO-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(15)13-8-6-12(11-17)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3/b15-14-.
What are the key properties of 4-formyl-N-methyl-N-pentylbenzenecarboximidamide?
4-formyl-N-methyl-N-pentylbenzenecarboximidamide has a molecular weight of 232.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methyl-N-pentylbenzenecarboximidamide is sourced from PubChem (CID 142083581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).