N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide

C11H23N3 — CID 123895418

IUPACN-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide
SMILESCC=C/C(=N\C)NCCNCCCC
InChIInChI=1S/C11H23N3/c1-4-6-8-13-9-10-14-11(12-3)7-5-2/h5,7,13H,4,6,8-10H2,1-3H3,(H,12,14)
InChIKeyAKOLYBFPVSRPLR-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide

N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide (PubChem CID 123895418) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide.

Molecular Properties

Compound NameN-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide
PubChem CID123895418
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide
SMILESCC=C/C(=N\C)NCCNCCCC
InChIInChI=1S/C11H23N3/c1-4-6-8-13-9-10-14-11(12-3)7-5-2/h5,7,13H,4,6,8-10H2,1-3H3,(H,12,14)
InChIKeyAKOLYBFPVSRPLR-UHFFFAOYSA-N
XLogP1.57
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.57
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

N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide
CID 167244290
2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 15778570
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742
2-prop-1-enyl-4,5-dihydro-1H-imidazole
CID 53814883
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
N-[2-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 67842573
N-pentyl-2H-pyrrol-5-amine
CID 67916644
N-butyl-2H-pyrrol-5-amine
CID 89628600
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide?
The IUPAC name of N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide (CID 123895418) is N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide.
What is the SMILES notation for N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide?
The canonical SMILES for N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide is CC=C/C(=N\C)NCCNCCCC.
What is the InChIKey of N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide?
The InChIKey is AKOLYBFPVSRPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-8-13-9-10-14-11(12-3)7-5-2/h5,7,13H,4,6,8-10H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide?
N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide is sourced from PubChem (CID 123895418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).