N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide

C10H22N2O — CID 64604534

IUPACN'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide
SMILESCOCCC(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(6-7-13-5)12-9(11)10(2,3)4/h8H,6-7H2,1-5H3,(H2,11,12)
InChIKeyFQJSGHWTEKGFRJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.81
Rot. Bonds4

About N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide

N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide (PubChem CID 64604534) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide
PubChem CID64604534
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide
SMILESCOCCC(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(6-7-13-5)12-9(11)10(2,3)4/h8H,6-7H2,1-5H3,(H2,11,12)
InChIKeyFQJSGHWTEKGFRJ-UHFFFAOYSA-N
XLogP1.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2-(4-methoxybutan-2-yl)guanidine
CID 64604532
1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
CID 176546881
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
CID 116500225
2-(2-methoxyethyl)propanediamide
CID 143013500
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
CID 116592684
2-tert-butyl-5-methoxy-3-methylpentan-1-ol
CID 116500263
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
ethane;1-methoxy-3-methylbutane
CID 144580604
4-methoxybutane-2-sulfinic acid
CID 165449542

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide (CID 64604534) is N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide is COCCC(C)/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide?
The InChIKey is FQJSGHWTEKGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(6-7-13-5)12-9(11)10(2,3)4/h8H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide?
N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 64604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).