N'-amino-3-(4-methylphenyl)propanimidamide

C10H15N3 — CID 62503804

IUPACN'-amino-3-(4-methylphenyl)propanimidamide
SMILESCc1ccc(CC/C(N)=N/N)cc1
InChIInChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)6-7-10(11)13-12/h2-5H,6-7,12H2,1H3,(H2,11,13)
InChIKeyYLUFSROEEXUQAS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.16
Rot. Bonds3

About N'-amino-3-(4-methylphenyl)propanimidamide

N'-amino-3-(4-methylphenyl)propanimidamide (PubChem CID 62503804) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-amino-3-(4-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-amino-3-(4-methylphenyl)propanimidamide
PubChem CID62503804
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-amino-3-(4-methylphenyl)propanimidamide
SMILESCc1ccc(CC/C(N)=N/N)cc1
InChIInChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)6-7-10(11)13-12/h2-5H,6-7,12H2,1H3,(H2,11,13)
InChIKeyYLUFSROEEXUQAS-UHFFFAOYSA-N
XLogP1.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(4-methylphenyl)propanamide
CID 142510251
3-(4-methylphenyl)propanimidamide;hydrochloride
CID 69159205
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
CID 112551081
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
CID 142073021
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-(4-methylphenyl)propanimidamide?
The IUPAC name of N'-amino-3-(4-methylphenyl)propanimidamide (CID 62503804) is N'-amino-3-(4-methylphenyl)propanimidamide.
What is the SMILES notation for N'-amino-3-(4-methylphenyl)propanimidamide?
The canonical SMILES for N'-amino-3-(4-methylphenyl)propanimidamide is Cc1ccc(CC/C(N)=N/N)cc1.
What is the InChIKey of N'-amino-3-(4-methylphenyl)propanimidamide?
The InChIKey is YLUFSROEEXUQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-2-4-9(5-3-8)6-7-10(11)13-12/h2-5H,6-7,12H2,1H3,(H2,11,13).
What are the key properties of N'-amino-3-(4-methylphenyl)propanimidamide?
N'-amino-3-(4-methylphenyl)propanimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-(4-methylphenyl)propanimidamide is sourced from PubChem (CID 62503804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).