2-ethoxy-N,N-diethylpentanimidamide

C11H24N2O — CID 116732421

IUPAC2-ethoxy-N,N-diethylpentanimidamide
SMILES[H]/N=C(/C(CCC)OCC)N(CC)CC
InChIInChI=1S/C11H24N2O/c1-5-9-10(14-8-4)11(12)13(6-2)7-3/h10,12H,5-9H2,1-4H3/b12-11-
InChIKeyNXDTVNVACTXZEO-QXMHVHEDSA-N
MW200.33 g/mol
LogP2.51
Rot. Bonds7

About 2-ethoxy-N,N-diethylpentanimidamide

2-ethoxy-N,N-diethylpentanimidamide (PubChem CID 116732421) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-ethoxy-N,N-diethylpentanimidamide.

Molecular Properties

Compound Name2-ethoxy-N,N-diethylpentanimidamide
PubChem CID116732421
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-ethoxy-N,N-diethylpentanimidamide
SMILES[H]/N=C(/C(CCC)OCC)N(CC)CC
InChIInChI=1S/C11H24N2O/c1-5-9-10(14-8-4)11(12)13(6-2)7-3/h10,12H,5-9H2,1-4H3/b12-11-
InChIKeyNXDTVNVACTXZEO-QXMHVHEDSA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-methoxypropanimidamide
CID 79605131
methyl 2-methoxypentanimidate
CID 116727295
N,N-diethyl-2,2-diphenylethanimidamide
CID 63179563
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
N,N-diethyl-4-methylpentanimidamide
CID 63179219
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889
3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine
CID 134421720
2-hydroxy-N,N-dimethylhexanimidamide
CID 123619138
methyl 4-ethoxy-2-ethyl-3-oxoheptanoate
CID 116728005
2-ethoxypentan-3-imine
CID 123646802
methyl 2-hydroxypentanimidate
CID 130126876

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-diethylpentanimidamide?
The IUPAC name of 2-ethoxy-N,N-diethylpentanimidamide (CID 116732421) is 2-ethoxy-N,N-diethylpentanimidamide.
What is the SMILES notation for 2-ethoxy-N,N-diethylpentanimidamide?
The canonical SMILES for 2-ethoxy-N,N-diethylpentanimidamide is [H]/N=C(/C(CCC)OCC)N(CC)CC.
What is the InChIKey of 2-ethoxy-N,N-diethylpentanimidamide?
The InChIKey is NXDTVNVACTXZEO-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-9-10(14-8-4)11(12)13(6-2)7-3/h10,12H,5-9H2,1-4H3/b12-11-.
What are the key properties of 2-ethoxy-N,N-diethylpentanimidamide?
2-ethoxy-N,N-diethylpentanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-diethylpentanimidamide is sourced from PubChem (CID 116732421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).