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

C11H23N3 — CID 123457161

IUPACN'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
SMILESCCC=C/C(=N\C)NCCNCCC
InChIInChI=1S/C11H23N3/c1-4-6-7-11(12-3)14-10-9-13-8-5-2/h6-7,13H,4-5,8-10H2,1-3H3,(H,12,14)
InChIKeyHAOJTCUWAQCCOP-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.57
Rot. Bonds7

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

N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide (PubChem CID 123457161) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
PubChem CID123457161
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
SMILESCCC=C/C(=N\C)NCCNCCC
InChIInChI=1S/C11H23N3/c1-4-6-7-11(12-3)14-10-9-13-8-5-2/h6-7,13H,4-5,8-10H2,1-3H3,(H,12,14)
InChIKeyHAOJTCUWAQCCOP-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

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
CID 21608209
N'-[(E)-4-fluorobut-3-en-2-yl]-N-[(Z)-pent-3-en-2-yl]ethanimidamide
CID 144414903
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2-[(E)-but-1-enyl]-4,5-dihydro-1H-imidazole
CID 15471712
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
N-[2-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69191892

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide?
The IUPAC name of N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide (CID 123457161) is N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide.
What is the SMILES notation for N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide?
The canonical SMILES for N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide is CCC=C/C(=N\C)NCCNCCC.
What is the InChIKey of N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide?
The InChIKey is HAOJTCUWAQCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-7-11(12-3)14-10-9-13-8-5-2/h6-7,13H,4-5,8-10H2,1-3H3,(H,12,14).
What are the key properties of N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide?
N'-methyl-N-[2-(propylamino)ethyl]pent-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'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide is sourced from PubChem (CID 123457161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).