N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide

C10H21N3 — CID 123259895

IUPACN'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide
SMILESCC=C/C(=N\C)NCCNCCC
InChIInChI=1S/C10H21N3/c1-4-6-10(11-3)13-9-8-12-7-5-2/h4,6,12H,5,7-9H2,1-3H3,(H,11,13)
InChIKeyGBWMCCLIYFALQT-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.18
Rot. Bonds6

About N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide

N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide (PubChem CID 123259895) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide
PubChem CID123259895
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide
SMILESCC=C/C(=N\C)NCCNCCC
InChIInChI=1S/C10H21N3/c1-4-6-10(11-3)13-9-8-12-7-5-2/h4,6,12H,5,7-9H2,1-3H3,(H,11,13)
InChIKeyGBWMCCLIYFALQT-UHFFFAOYSA-N
XLogP1.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.18
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

2-Vinyl-2-imidazoline
CID 82736
N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide
CID 167244290
(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
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
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
N',2-dimethyl-N-prop-2-enylpropanimidamide
CID 12683077
2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 15778570
2-ethenyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 20189699
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide?
The IUPAC name of N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide (CID 123259895) is N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide.
What is the SMILES notation for N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide?
The canonical SMILES for N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide is CC=C/C(=N\C)NCCNCCC.
What is the InChIKey of N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide?
The InChIKey is GBWMCCLIYFALQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-6-10(11-3)13-9-8-12-7-5-2/h4,6,12H,5,7-9H2,1-3H3,(H,11,13).
What are the key properties of N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide?
N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide is sourced from PubChem (CID 123259895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).