N'-(2,2-dimethoxyethyl)pentanimidamide

C9H20N2O2 — CID 126622878

IUPACN'-(2,2-dimethoxyethyl)pentanimidamide
SMILESCCCC/C(N)=N\CC(OC)OC
InChIInChI=1S/C9H20N2O2/c1-4-5-6-8(10)11-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H2,10,11)
InChIKeyIRADQMRBSRKMGK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.15
Rot. Bonds7

About N'-(2,2-dimethoxyethyl)pentanimidamide

N'-(2,2-dimethoxyethyl)pentanimidamide (PubChem CID 126622878) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)pentanimidamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)pentanimidamide
PubChem CID126622878
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN'-(2,2-dimethoxyethyl)pentanimidamide
SMILESCCCC/C(N)=N\CC(OC)OC
InChIInChI=1S/C9H20N2O2/c1-4-5-6-8(10)11-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H2,10,11)
InChIKeyIRADQMRBSRKMGK-UHFFFAOYSA-N
XLogP1.15
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-4-methoxybutanimidamide
CID 65093895
1,1-dimethoxyheptan-3-one
CID 10397274
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
N'-[amino(methyl)amino]pentanimidamide
CID 144800598
2-(1-aminopentylideneamino)acetic acid;methyl pentanimidate;hydrochloride
CID 161011077
N'-cyclopropylpentanimidamide
CID 79413074
N'-aminononanimidamide
CID 4100069
N'-diazenylpentanimidamide
CID 143625651
1-N',9-N'-bis[N'-(2-ethylhexyl)carbamimidoyl]nonanediimidamide
CID 140591662
1,1-dimethoxytetradecane
CID 13265409
5-butoxy-N'-hydroxypentanimidamide
CID 109374755
N'-(3-methoxy-2-methylpropyl)propanimidamide
CID 63177797

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)pentanimidamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)pentanimidamide (CID 126622878) is N'-(2,2-dimethoxyethyl)pentanimidamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)pentanimidamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)pentanimidamide is CCCC/C(N)=N\CC(OC)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)pentanimidamide?
The InChIKey is IRADQMRBSRKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-5-6-8(10)11-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-(2,2-dimethoxyethyl)pentanimidamide?
N'-(2,2-dimethoxyethyl)pentanimidamide has a molecular weight of 188.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)pentanimidamide is sourced from PubChem (CID 126622878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).