N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide

C10H22N2O — CID 63177169

IUPACN'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
SMILESCOCCCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)9(11)12-7-5-6-8-13-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyYMGXKEYDCROCMG-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.82
Rot. Bonds5

About N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide

N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide (PubChem CID 63177169) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
PubChem CID63177169
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
SMILESCOCCCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)9(11)12-7-5-6-8-13-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyYMGXKEYDCROCMG-UHFFFAOYSA-N
XLogP1.82
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
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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Related Compounds

1-tert-butyl-2-(5-methoxypentyl)guanidine
CID 103646401
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
CID 11182393
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide
CID 64604534
1,2,3-tris(5-methoxypentyl)guanidine
CID 102441761
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
N'-ethyl-4-methoxybutanimidamide
CID 65093895
N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
CID 63833468
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide (CID 63177169) is N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide is COCCCC/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide?
The InChIKey is YMGXKEYDCROCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)9(11)12-7-5-6-8-13-4/h5-8H2,1-4H3,(H2,11,12).
What are the key properties of N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide?
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63177169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).