3-(2-butoxyethoxy)butanimidamide

C10H22N2O2 — CID 114995138

IUPAC3-(2-butoxyethoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCCOCCCC
InChIInChI=1S/C10H22N2O2/c1-3-4-5-13-6-7-14-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyLRCMGNUYRAKQKY-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.53
Rot. Bonds9

About 3-(2-butoxyethoxy)butanimidamide

3-(2-butoxyethoxy)butanimidamide (PubChem CID 114995138) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)butanimidamide.

Molecular Properties

Compound Name3-(2-butoxyethoxy)butanimidamide
PubChem CID114995138
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(2-butoxyethoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCCOCCCC
InChIInChI=1S/C10H22N2O2/c1-3-4-5-13-6-7-14-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyLRCMGNUYRAKQKY-UHFFFAOYSA-N
XLogP1.53
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
3-(3-methoxypropoxy)butanimidamide
CID 114995283
3-(2-ethoxyethoxy)pentanimidamide
CID 43368509
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
4-hexoxybutanimidamide
CID 29003057
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
3-methyl-4-propoxybutanimidamide
CID 158121908
4-propoxypentanimidamide
CID 158121909
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 175740296
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
CID 104568452

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)butanimidamide?
The IUPAC name of 3-(2-butoxyethoxy)butanimidamide (CID 114995138) is 3-(2-butoxyethoxy)butanimidamide.
What is the SMILES notation for 3-(2-butoxyethoxy)butanimidamide?
The canonical SMILES for 3-(2-butoxyethoxy)butanimidamide is [H]/N=C(\N)CC(C)OCCOCCCC.
What is the InChIKey of 3-(2-butoxyethoxy)butanimidamide?
The InChIKey is LRCMGNUYRAKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-4-5-13-6-7-14-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H3,11,12).
What are the key properties of 3-(2-butoxyethoxy)butanimidamide?
3-(2-butoxyethoxy)butanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)butanimidamide is sourced from PubChem (CID 114995138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).