N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide

C9H15N3 — CID 129119779

IUPACN-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/N=C=CN)C(C)C
InChIInChI=1S/C9H15N3/c1-4-6-11-9(8(2)3)12-7-5-10/h4-6,8H,10H2,1-3H3/b6-4-,11-9-
InChIKeyTWHYAGOJGQEOHM-MJCCWDFWSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds2

About N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide

N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 129119779) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound NameN-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
PubChem CID129119779
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/N=C=CN)C(C)C
InChIInChI=1S/C9H15N3/c1-4-6-11-9(8(2)3)12-7-5-10/h4-6,8H,10H2,1-3H3/b6-4-,11-9-
InChIKeyTWHYAGOJGQEOHM-MJCCWDFWSA-N
XLogP1.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide (CID 129119779) is N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide is C/C=C\N=C(/N=C=CN)C(C)C.
What is the InChIKey of N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is TWHYAGOJGQEOHM-MJCCWDFWSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-6-11-9(8(2)3)12-7-5-10/h4-6,8H,10H2,1-3H3/b6-4-,11-9-.
What are the key properties of N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide?
N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 129119779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).