N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide

C12H25N3 — CID 90248344

IUPACN'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CCCN(CC)CCC
InChIInChI=1S/C12H25N3/c1-4-8-13-12-14-9-7-11-15(6-3)10-5-2/h4,8,12H,5-7,9-11H2,1-3H3,(H,13,14)/b8-4-
InChIKeyMQGIARILIJEYHH-YWEYNIOJSA-N
MW211.35 g/mol
LogP2.26
Rot. Bonds9

About N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide

N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 90248344) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID90248344
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CCCN(CC)CCC
InChIInChI=1S/C12H25N3/c1-4-8-13-12-14-9-7-11-15(6-3)10-5-2/h4,8,12H,5-7,9-11H2,1-3H3,(H,13,14)/b8-4-
InChIKeyMQGIARILIJEYHH-YWEYNIOJSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
N'-(3-aminopropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 89672431
N'-butyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 89770656
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
CID 90248355
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N-ethenyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 91073918
N-ethenyl-N'-prop-1-enylmethanimidamide
CID 91360893
N-(3-aminopropyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489712
1-(1,4-diazepan-1-yl)-N-[(E)-prop-1-enyl]methanimine
CID 118489772
N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide
CID 118489956
N-methyl-N-[3-(methylamino)propyl]-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490146
N-(3-aminobutyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490343

Frequently Asked Questions

What is the IUPAC name of N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 90248344) is N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N/C=N/CCCN(CC)CCC.
What is the InChIKey of N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is MQGIARILIJEYHH-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-8-13-12-14-9-7-11-15(6-3)10-5-2/h4,8,12H,5-7,9-11H2,1-3H3,(H,13,14)/b8-4-.
What are the key properties of N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide?
N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 90248344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).