2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide

C12H22N4O — CID 89358248

IUPAC2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(C)/C(=N\CCN1CCOCC1)N/C=C\C
InChIInChI=1S/C12H22N4O/c1-3-4-14-12(11(2)13)15-5-6-16-7-9-17-10-8-16/h3-4,13H,5-10H2,1-2H3,(H,14,15)/b4-3-,13-11+
InChIKeyYOZMIKLSWAQUJQ-KBCNIFDOSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds5

About 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide

2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 89358248) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound Name2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide
PubChem CID89358248
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(C)/C(=N\CCN1CCOCC1)N/C=C\C
InChIInChI=1S/C12H22N4O/c1-3-4-14-12(11(2)13)15-5-6-16-7-9-17-10-8-16/h3-4,13H,5-10H2,1-2H3,(H,14,15)/b4-3-,13-11+
InChIKeyYOZMIKLSWAQUJQ-KBCNIFDOSA-N
XLogP0.88
TPSA60.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
CID 54363769
(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
CID 136924073
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
methyl N'-(2-morpholin-4-ylethyl)-N-[(E)-[(2E)-2-(2-morpholin-4-ylethylcarbamothioylhydrazinylidene)ethylidene]amino]carbamimidothioate
CID 134533584
N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide
CID 134603471
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
4-[(Z)-pent-3-enyl]morpholine
CID 142132381
(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine
CID 176921266
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896

Frequently Asked Questions

What is the IUPAC name of 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide (CID 89358248) is 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide is [H]/N=C(C)/C(=N\CCN1CCOCC1)N/C=C\C.
What is the InChIKey of 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is YOZMIKLSWAQUJQ-KBCNIFDOSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-14-12(11(2)13)15-5-6-16-7-9-17-10-8-16/h3-4,13H,5-10H2,1-2H3,(H,14,15)/b4-3-,13-11+.
What are the key properties of 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide?
2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 238.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N'-(2-morpholin-4-ylethyl)-N-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 89358248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).