4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide

C12H17N3 — CID 155580631

IUPAC4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide
SMILESCC/C=N/C(=N\C)c1ccc(N)c(C)c1
InChIInChI=1S/C12H17N3/c1-4-7-15-12(14-3)10-5-6-11(13)9(2)8-10/h5-8H,4,13H2,1-3H3/b14-12-,15-7+
InChIKeyUTWXARVVTBRDNS-XSRVWSMQSA-N
MW203.29 g/mol
LogP2.43
Rot. Bonds2

About 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide

4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide (PubChem CID 155580631) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide
PubChem CID155580631
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide
SMILESCC/C=N/C(=N\C)c1ccc(N)c(C)c1
InChIInChI=1S/C12H17N3/c1-4-7-15-12(14-3)10-5-6-11(13)9(2)8-10/h5-8H,4,13H2,1-3H3/b14-12-,15-7+
InChIKeyUTWXARVVTBRDNS-XSRVWSMQSA-N
XLogP2.43
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide?
The IUPAC name of 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide (CID 155580631) is 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide.
What is the SMILES notation for 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide?
The canonical SMILES for 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide is CC/C=N/C(=N\C)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide?
The InChIKey is UTWXARVVTBRDNS-XSRVWSMQSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-7-15-12(14-3)10-5-6-11(13)9(2)8-10/h5-8H,4,13H2,1-3H3/b14-12-,15-7+.
What are the key properties of 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide?
4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide has a molecular weight of 203.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N',3-dimethyl-N-propylidenebenzenecarboximidamide is sourced from PubChem (CID 155580631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).