3-[methyl(propyl)amino]benzenecarboximidamide

C11H17N3 — CID 62970999

IUPAC3-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCC)c1
InChIInChI=1S/C11H17N3/c1-3-7-14(2)10-6-4-5-9(8-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13)
InChIKeyMYAZFRWDBQLQFH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.82
Rot. Bonds4

About 3-[methyl(propyl)amino]benzenecarboximidamide

3-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 62970999) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID62970999
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCC)c1
InChIInChI=1S/C11H17N3/c1-3-7-14(2)10-6-4-5-9(8-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13)
InChIKeyMYAZFRWDBQLQFH-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.82
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-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[methyl(1,3-thiazol-5-ylmethyl)amino]benzenecarboximidamide
CID 112640775

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl(propyl)amino]benzenecarboximidamide (CID 62970999) is 3-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)CCC)c1.
What is the InChIKey of 3-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is MYAZFRWDBQLQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-7-14(2)10-6-4-5-9(8-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13).
What are the key properties of 3-[methyl(propyl)amino]benzenecarboximidamide?
3-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 191.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62970999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).