4-(3-methylbutoxy)butanimidamide

C9H20N2O — CID 24706267

IUPAC4-(3-methylbutoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCCC(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)5-7-12-6-3-4-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11)
InChIKeyYVFKIANLXKNPBW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.77
Rot. Bonds7

About 4-(3-methylbutoxy)butanimidamide

4-(3-methylbutoxy)butanimidamide (PubChem CID 24706267) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(3-methylbutoxy)butanimidamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)butanimidamide
PubChem CID24706267
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(3-methylbutoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCCC(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)5-7-12-6-3-4-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11)
InChIKeyYVFKIANLXKNPBW-UHFFFAOYSA-N
XLogP1.77
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.77
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'}

Analyze 4-(3-methylbutoxy)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexoxybutanimidamide
CID 29003057
4-(2,2-difluoroethoxy)butanimidamide
CID 82004482
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
(4-amino-4-iminobutyl) acetate
CID 118644708
5-methyloctanimidamide
CID 54213893
5,5-dihydroxypentanimidamide
CID 87612742
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
methyl 7-amino-7-imino-2-methylheptanoate
CID 58186401
propyl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121470462
1-(3-methylbutoxy)heptan-4-one
CID 61484387

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)butanimidamide?
The IUPAC name of 4-(3-methylbutoxy)butanimidamide (CID 24706267) is 4-(3-methylbutoxy)butanimidamide.
What is the SMILES notation for 4-(3-methylbutoxy)butanimidamide?
The canonical SMILES for 4-(3-methylbutoxy)butanimidamide is [H]/N=C(\N)CCCOCCC(C)C.
What is the InChIKey of 4-(3-methylbutoxy)butanimidamide?
The InChIKey is YVFKIANLXKNPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)5-7-12-6-3-4-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11).
What are the key properties of 4-(3-methylbutoxy)butanimidamide?
4-(3-methylbutoxy)butanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)butanimidamide is sourced from PubChem (CID 24706267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).