2-ethyl-N,N-dipropoxybutanimidamide

C12H26N2O2 — CID 159668750

IUPAC2-ethyl-N,N-dipropoxybutanimidamide
SMILES[H]/N=C(\C(CC)CC)N(OCCC)OCCC
InChIInChI=1S/C12H26N2O2/c1-5-9-15-14(16-10-6-2)12(13)11(7-3)8-4/h11,13H,5-10H2,1-4H3/b13-12+
InChIKeyPUTFWDXWHCJNEM-OUKQBFOZSA-N
MW230.35 g/mol
LogP3.39
Rot. Bonds9

About 2-ethyl-N,N-dipropoxybutanimidamide

2-ethyl-N,N-dipropoxybutanimidamide (PubChem CID 159668750) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethyl-N,N-dipropoxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-N,N-dipropoxybutanimidamide
PubChem CID159668750
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-ethyl-N,N-dipropoxybutanimidamide
SMILES[H]/N=C(\C(CC)CC)N(OCCC)OCCC
InChIInChI=1S/C12H26N2O2/c1-5-9-15-14(16-10-6-2)12(13)11(7-3)8-4/h11,13H,5-10H2,1-4H3/b13-12+
InChIKeyPUTFWDXWHCJNEM-OUKQBFOZSA-N
XLogP3.39
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-carbamimidamido-1-ethoxy-1-propoxyguanidine
CID 176541169
3-ethylpentan-2-imine
CID 91583168
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
2-ethylbutanimidate;hydrochloride
CID 19082418
2-ethoxy-N,N-diethylpentanimidamide
CID 116732421
2-ethylbutanimidoylphosphonous acid
CID 91569966
N-methyl-2-propoxybutan-1-amine
CID 62452056
2-hydroxy-N,N-dimethylhexanimidamide
CID 123619138
N-[(Z)-hex-2-enyl]-N,2-dimethylpropanimidamide
CID 174183986
methyl 2-hydroxypentanimidate
CID 130126876
2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 174568449
2-ethylpropanediimidamide;dihydrochloride
CID 87175836

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dipropoxybutanimidamide?
The IUPAC name of 2-ethyl-N,N-dipropoxybutanimidamide (CID 159668750) is 2-ethyl-N,N-dipropoxybutanimidamide.
What is the SMILES notation for 2-ethyl-N,N-dipropoxybutanimidamide?
The canonical SMILES for 2-ethyl-N,N-dipropoxybutanimidamide is [H]/N=C(\C(CC)CC)N(OCCC)OCCC.
What is the InChIKey of 2-ethyl-N,N-dipropoxybutanimidamide?
The InChIKey is PUTFWDXWHCJNEM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-9-15-14(16-10-6-2)12(13)11(7-3)8-4/h11,13H,5-10H2,1-4H3/b13-12+.
What are the key properties of 2-ethyl-N,N-dipropoxybutanimidamide?
2-ethyl-N,N-dipropoxybutanimidamide has a molecular weight of 230.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dipropoxybutanimidamide is sourced from PubChem (CID 159668750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).