N'-(2-butoxyethyl)-2-methylpropanimidamide

C10H22N2O — CID 63177473

IUPACN'-(2-butoxyethyl)-2-methylpropanimidamide
SMILESCCCCOCC/N=C(\N)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-7-13-8-6-12-10(11)9(2)3/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyXJNDYJCHXRXSIX-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.82
Rot. Bonds7

About N'-(2-butoxyethyl)-2-methylpropanimidamide

N'-(2-butoxyethyl)-2-methylpropanimidamide (PubChem CID 63177473) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-2-methylpropanimidamide
PubChem CID63177473
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-(2-butoxyethyl)-2-methylpropanimidamide
SMILESCCCCOCC/N=C(\N)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-7-13-8-6-12-10(11)9(2)3/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyXJNDYJCHXRXSIX-UHFFFAOYSA-N
XLogP1.82
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2-butoxyethyl)-2-methylpropanimidamide (CID 63177473) is N'-(2-butoxyethyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2-butoxyethyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2-butoxyethyl)-2-methylpropanimidamide is CCCCOCC/N=C(\N)C(C)C.
What is the InChIKey of N'-(2-butoxyethyl)-2-methylpropanimidamide?
The InChIKey is XJNDYJCHXRXSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-7-13-8-6-12-10(11)9(2)3/h9H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-butoxyethyl)-2-methylpropanimidamide?
N'-(2-butoxyethyl)-2-methylpropanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)-2-methylpropanimidamide is sourced from PubChem (CID 63177473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).