N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide

C7H13N3 — CID 123354826

IUPACN'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide
SMILESC/C=C/N/C=N/C=N/CC
InChIInChI=1S/C7H13N3/c1-3-5-9-7-10-6-8-4-2/h3,5-7H,4H2,1-2H3,(H,8,9,10)/b5-3+
InChIKeyBWYHAQBKELEGEP-HWKANZROSA-N
MW139.20 g/mol
LogP1.19
Rot. Bonds4

About N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide

N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide (PubChem CID 123354826) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide
PubChem CID123354826
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide
SMILESC/C=C/N/C=N/C=N/CC
InChIInChI=1S/C7H13N3/c1-3-5-9-7-10-6-8-4-2/h3,5-7H,4H2,1-2H3,(H,8,9,10)/b5-3+
InChIKeyBWYHAQBKELEGEP-HWKANZROSA-N
XLogP1.19
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide?
The IUPAC name of N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide (CID 123354826) is N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide?
The canonical SMILES for N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide is C/C=C/N/C=N/C=N/CC.
What is the InChIKey of N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide?
The InChIKey is BWYHAQBKELEGEP-HWKANZROSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-9-7-10-6-8-4-2/h3,5-7H,4H2,1-2H3,(H,8,9,10)/b5-3+.
What are the key properties of N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide?
N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[[[(E)-prop-1-enyl]amino]methylidene]methanimidamide is sourced from PubChem (CID 123354826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).