N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide

C6H13N3 — CID 90322311

IUPACN'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CCN
InChIInChI=1S/C6H13N3/c1-2-4-8-6-9-5-3-7/h2,4,6H,3,5,7H2,1H3,(H,8,9)/b4-2-
InChIKeySPIVQOKZQWRFRH-RQOWECAXSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds4

About N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide

N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 90322311) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID90322311
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CCN
InChIInChI=1S/C6H13N3/c1-2-4-8-6-9-5-3-7/h2,4,6H,3,5,7H2,1H3,(H,8,9)/b4-2-
InChIKeySPIVQOKZQWRFRH-RQOWECAXSA-N
XLogP0.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
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-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide (CID 90322311) is N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N/C=N/CCN.
What is the InChIKey of N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is SPIVQOKZQWRFRH-RQOWECAXSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-4-8-6-9-5-3-7/h2,4,6H,3,5,7H2,1H3,(H,8,9)/b4-2-.
What are the key properties of N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide?
N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 90322311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).