3-butoxypropanimidamide

C7H16N2O — CID 43267741

IUPAC3-butoxypropanimidamide
SMILES[H]/N=C(\N)CCOCCCC
InChIInChI=1S/C7H16N2O/c1-2-3-5-10-6-4-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyQSERMXJFBXZUBT-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.13
Rot. Bonds6

About 3-butoxypropanimidamide

3-butoxypropanimidamide (PubChem CID 43267741) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-butoxypropanimidamide.

Molecular Properties

Compound Name3-butoxypropanimidamide
PubChem CID43267741
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-butoxypropanimidamide
SMILES[H]/N=C(\N)CCOCCCC
InChIInChI=1S/C7H16N2O/c1-2-3-5-10-6-4-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyQSERMXJFBXZUBT-UHFFFAOYSA-N
XLogP1.13
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-butoxypropanimidamide?
The IUPAC name of 3-butoxypropanimidamide (CID 43267741) is 3-butoxypropanimidamide.
What is the SMILES notation for 3-butoxypropanimidamide?
The canonical SMILES for 3-butoxypropanimidamide is [H]/N=C(\N)CCOCCCC.
What is the InChIKey of 3-butoxypropanimidamide?
The InChIKey is QSERMXJFBXZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-3-5-10-6-4-7(8)9/h2-6H2,1H3,(H3,8,9).
What are the key properties of 3-butoxypropanimidamide?
3-butoxypropanimidamide has a molecular weight of 144.22 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypropanimidamide is sourced from PubChem (CID 43267741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).