3-(3-methylbutoxy)propanimidamide

C8H18N2O — CID 24691386

IUPAC3-(3-methylbutoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCCC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)3-5-11-6-4-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyLZKPRFIFBMECLV-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.38
Rot. Bonds6

About 3-(3-methylbutoxy)propanimidamide

3-(3-methylbutoxy)propanimidamide (PubChem CID 24691386) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(3-methylbutoxy)propanimidamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)propanimidamide
PubChem CID24691386
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(3-methylbutoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCCC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)3-5-11-6-4-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyLZKPRFIFBMECLV-UHFFFAOYSA-N
XLogP1.38
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.38
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-(3-methylbutoxy)propanimidamide?
The IUPAC name of 3-(3-methylbutoxy)propanimidamide (CID 24691386) is 3-(3-methylbutoxy)propanimidamide.
What is the SMILES notation for 3-(3-methylbutoxy)propanimidamide?
The canonical SMILES for 3-(3-methylbutoxy)propanimidamide is [H]/N=C(\N)CCOCCC(C)C.
What is the InChIKey of 3-(3-methylbutoxy)propanimidamide?
The InChIKey is LZKPRFIFBMECLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)3-5-11-6-4-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 3-(3-methylbutoxy)propanimidamide?
3-(3-methylbutoxy)propanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)propanimidamide is sourced from PubChem (CID 24691386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).