4-(3-methylbutyl)benzenecarboximidamide

C12H18N2 — CID 137472926

IUPAC4-(3-methylbutyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C12H18N2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h5-9H,3-4H2,1-2H3,(H3,13,14)
InChIKeyYPHJZCDZMOVJOH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.56
Rot. Bonds4

About 4-(3-methylbutyl)benzenecarboximidamide

4-(3-methylbutyl)benzenecarboximidamide (PubChem CID 137472926) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(3-methylbutyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methylbutyl)benzenecarboximidamide
PubChem CID137472926
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(3-methylbutyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C12H18N2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h5-9H,3-4H2,1-2H3,(H3,13,14)
InChIKeyYPHJZCDZMOVJOH-UHFFFAOYSA-N
XLogP2.56
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-(3-methylbutyl)benzenecarbothioamide
CID 54180447
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107750263
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
(3R)-4-[4-(4-carbamimidoylphenyl)butylamino]-3-methyl-4-oxobutanoic acid
CID 22853901
4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)benzenecarboximidamide?
The IUPAC name of 4-(3-methylbutyl)benzenecarboximidamide (CID 137472926) is 4-(3-methylbutyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methylbutyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methylbutyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCC(C)C)cc1.
What is the InChIKey of 4-(3-methylbutyl)benzenecarboximidamide?
The InChIKey is YPHJZCDZMOVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h5-9H,3-4H2,1-2H3,(H3,13,14).
What are the key properties of 4-(3-methylbutyl)benzenecarboximidamide?
4-(3-methylbutyl)benzenecarboximidamide has a molecular weight of 190.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)benzenecarboximidamide is sourced from PubChem (CID 137472926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).