3-(2,2-dimethylpropoxy)propanimidamide

C8H18N2O — CID 159874178

IUPAC3-(2,2-dimethylpropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)6-11-5-4-7(9)10/h4-6H2,1-3H3,(H3,9,10)
InChIKeyWSBXPODQJMCJHV-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.38
Rot. Bonds4

About 3-(2,2-dimethylpropoxy)propanimidamide

3-(2,2-dimethylpropoxy)propanimidamide (PubChem CID 159874178) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)propanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)propanimidamide
PubChem CID159874178
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(2,2-dimethylpropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)6-11-5-4-7(9)10/h4-6H2,1-3H3,(H3,9,10)
InChIKeyWSBXPODQJMCJHV-UHFFFAOYSA-N
XLogP1.38
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 29002991
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
3-[2,2-bis[(3-amino-3-iminopropoxy)methyl]-3-(2-cyanoethoxy)propoxy]propanimidamide;ethane
CID 143800393
(3-amino-3-iminopropyl) 2,2-dimethylpropanoate
CID 159975596
2-(3-amino-3-iminopropoxy)acetic acid
CID 89185715
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-[2-[[(3Z)-3-amino-3-hydroxyiminopropoxy]methyl]-3-(2-cyanoethoxy)-2-(2-cyanoethoxymethyl)propoxy]propanimidamide
CID 143800276
4-hexoxybutanimidamide
CID 29003057
4-(3-methylbutoxy)butanimidamide
CID 24706267
butanediimidamide;dihydrochloride
CID 88614640
4,4-difluoropentanimidamide
CID 84731110
3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)propanimidamide?
The IUPAC name of 3-(2,2-dimethylpropoxy)propanimidamide (CID 159874178) is 3-(2,2-dimethylpropoxy)propanimidamide.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)propanimidamide?
The canonical SMILES for 3-(2,2-dimethylpropoxy)propanimidamide is [H]/N=C(\N)CCOCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)propanimidamide?
The InChIKey is WSBXPODQJMCJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)6-11-5-4-7(9)10/h4-6H2,1-3H3,(H3,9,10).
What are the key properties of 3-(2,2-dimethylpropoxy)propanimidamide?
3-(2,2-dimethylpropoxy)propanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)propanimidamide is sourced from PubChem (CID 159874178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).