3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide

C12H27N3O — CID 106453223

IUPAC3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCOCC(C)C
InChIInChI=1S/C12H27N3O/c1-5-15(8-11(4)12(13)14)6-7-16-9-10(2)3/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyJSFLRNZHGMPUOE-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.55
Rot. Bonds9

About 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide

3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide (PubChem CID 106453223) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
PubChem CID106453223
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCOCC(C)C
InChIInChI=1S/C12H27N3O/c1-5-15(8-11(4)12(13)14)6-7-16-9-10(2)3/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyJSFLRNZHGMPUOE-UHFFFAOYSA-N
XLogP1.55
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
CID 61437175
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
2-[2-(2-methylpropoxy)ethoxy]butanimidamide
CID 106447826
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370643
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide (CID 106453223) is 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCOCC(C)C.
What is the InChIKey of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide?
The InChIKey is JSFLRNZHGMPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-15(8-11(4)12(13)14)6-7-16-9-10(2)3/h10-11H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide?
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide is sourced from PubChem (CID 106453223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).