N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide

C12H19N3 — CID 61360666

IUPACN-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1cc(C)cc(C)c1
InChIInChI=1S/C12H19N3/c1-4-5-14-12(15-13)11-7-9(2)6-10(3)8-11/h6-8H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyPZMPSGGNMFSNJQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.92
Rot. Bonds3

About N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide

N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide (PubChem CID 61360666) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide
PubChem CID61360666
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1cc(C)cc(C)c1
InChIInChI=1S/C12H19N3/c1-4-5-14-12(15-13)11-7-9(2)6-10(3)8-11/h6-8H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyPZMPSGGNMFSNJQ-UHFFFAOYSA-N
XLogP1.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.92
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

N-amino-4-methyl-N'-propylthiophene-2-carboximidamide
CID 130657628
N-amino-5-bromo-N'-propylfuran-3-carboximidamide
CID 130637765
N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
CID 81307492
N-amino-4,5-dimethyl-N'-propylthiophene-2-carboximidamide
CID 65237914
3-amino-1-(3,5-dimethylphenyl)-1-methyl-2-propylguanidine
CID 116514372
N-amino-N'-propyl-4-(trifluoromethoxy)benzenecarboximidamide
CID 116629235
N-amino-5-bromo-N'-propylthiophene-2-carboximidamide
CID 61363242
1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
CID 111818678
3,5-dimethylbenzenecarbothiohydrazide
CID 131049133
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
N-amino-3,5-dibromo-N'-propan-2-ylbenzenecarboximidamide
CID 107974585
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
CID 116512604

Frequently Asked Questions

What is the IUPAC name of N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide?
The IUPAC name of N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide (CID 61360666) is N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide.
What is the SMILES notation for N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide?
The canonical SMILES for N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide is CCC/N=C(\NN)c1cc(C)cc(C)c1.
What is the InChIKey of N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide?
The InChIKey is PZMPSGGNMFSNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-5-14-12(15-13)11-7-9(2)6-10(3)8-11/h6-8H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide?
N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide has a molecular weight of 205.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,5-dimethyl-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 61360666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).