N'-butan-2-ylbenzenecarboximidamide

C11H16N2 — CID 63174298

IUPACN'-butan-2-ylbenzenecarboximidamide
SMILESCCC(C)/N=C(\N)c1ccccc1
InChIInChI=1S/C11H16N2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,13)
InChIKeySAUBVLRZSCQFRP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds3

About N'-butan-2-ylbenzenecarboximidamide

N'-butan-2-ylbenzenecarboximidamide (PubChem CID 63174298) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-butan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-butan-2-ylbenzenecarboximidamide
PubChem CID63174298
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-butan-2-ylbenzenecarboximidamide
SMILESCCC(C)/N=C(\N)c1ccccc1
InChIInChI=1S/C11H16N2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,13)
InChIKeySAUBVLRZSCQFRP-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-(aminomethyl)-N'-butan-2-ylbenzenecarboximidamide
CID 123347700
N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
CID 55158629
2-[[amino(phenyl)methylidene]amino]pentanoic acid
CID 154459361
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620
N'-diethylphosphanylbenzenecarboximidamide
CID 175989324
N'-(2,3,3-trimethylbutyl)benzenecarboximidamide
CID 79822282
N'-(ethylamino)benzenecarboximidamide;hydroiodide
CID 143177355
N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
CID 106218322

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-ylbenzenecarboximidamide?
The IUPAC name of N'-butan-2-ylbenzenecarboximidamide (CID 63174298) is N'-butan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-butan-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-butan-2-ylbenzenecarboximidamide is CCC(C)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-butan-2-ylbenzenecarboximidamide?
The InChIKey is SAUBVLRZSCQFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,13).
What are the key properties of N'-butan-2-ylbenzenecarboximidamide?
N'-butan-2-ylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 63174298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).