3-(3-methoxypropoxy)butanimidamide

C8H18N2O2 — CID 114995283

IUPAC3-(3-methoxypropoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCCCOC
InChIInChI=1S/C8H18N2O2/c1-7(6-8(9)10)12-5-3-4-11-2/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyMHPLULJYTGYHTC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.75
Rot. Bonds7

About 3-(3-methoxypropoxy)butanimidamide

3-(3-methoxypropoxy)butanimidamide (PubChem CID 114995283) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)butanimidamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)butanimidamide
PubChem CID114995283
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-(3-methoxypropoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCCCOC
InChIInChI=1S/C8H18N2O2/c1-7(6-8(9)10)12-5-3-4-11-2/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyMHPLULJYTGYHTC-UHFFFAOYSA-N
XLogP0.75
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.75
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-butoxyethoxy)butanimidamide
CID 114995138
2-(3-methoxypropoxy)ethanimidamide
CID 60917620
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[4-(2-methoxyethyl)phenoxy]butanimidamide
CID 114997080
acetic acid;4-methoxybutanimidamide
CID 162326172
3-methylbutanimidamide;hydrochloride
CID 18967932
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
4-propoxypentanimidamide
CID 158121909
2-amino-4-(3-methoxypropoxy)-2-methylpentan-1-ol
CID 64810813
3-(4-methylpentoxy)-3-phenylpropanimidamide
CID 115002951
3-phenoxybutanimidamide
CID 114995804
2-butan-2-yloxyethanimidamide
CID 60902733

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)butanimidamide?
The IUPAC name of 3-(3-methoxypropoxy)butanimidamide (CID 114995283) is 3-(3-methoxypropoxy)butanimidamide.
What is the SMILES notation for 3-(3-methoxypropoxy)butanimidamide?
The canonical SMILES for 3-(3-methoxypropoxy)butanimidamide is [H]/N=C(\N)CC(C)OCCCOC.
What is the InChIKey of 3-(3-methoxypropoxy)butanimidamide?
The InChIKey is MHPLULJYTGYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(6-8(9)10)12-5-3-4-11-2/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 3-(3-methoxypropoxy)butanimidamide?
3-(3-methoxypropoxy)butanimidamide has a molecular weight of 174.24 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)butanimidamide is sourced from PubChem (CID 114995283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).