N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide

C15H29N3 — CID 145481643

IUPACN-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide
SMILESC/C=C(\C)N/C(=N\CC)C(CCNCC)=C(C)C
InChIInChI=1S/C15H29N3/c1-7-13(6)18-15(17-9-3)14(12(4)5)10-11-16-8-2/h7,16H,8-11H2,1-6H3,(H,17,18)/b13-7+
InChIKeyXFLWILNDLUJSOG-NTUHNPAUSA-N
MW251.42 g/mol
LogP3.25
Rot. Bonds7

About N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide

N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide (PubChem CID 145481643) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide
PubChem CID145481643
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide
SMILESC/C=C(\C)N/C(=N\CC)C(CCNCC)=C(C)C
InChIInChI=1S/C15H29N3/c1-7-13(6)18-15(17-9-3)14(12(4)5)10-11-16-8-2/h7,16H,8-11H2,1-6H3,(H,17,18)/b13-7+
InChIKeyXFLWILNDLUJSOG-NTUHNPAUSA-N
XLogP3.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
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

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N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
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4-methyl-3,5-dimethylidene-N-(4-methylpent-2-en-3-yl)-2,4-dihydropyrimidin-3-ium-6-amine
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(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide (CID 145481643) is N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide is C/C=C(\C)N/C(=N\CC)C(CCNCC)=C(C)C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide?
The InChIKey is XFLWILNDLUJSOG-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-13(6)18-15(17-9-3)14(12(4)5)10-11-16-8-2/h7,16H,8-11H2,1-6H3,(H,17,18)/b13-7+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide?
N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide has a molecular weight of 251.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide is sourced from PubChem (CID 145481643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).