N'-(2-methylpropyl)-2-propoxyethanimidamide

C9H20N2O — CID 63181667

IUPACN'-(2-methylpropyl)-2-propoxyethanimidamide
SMILESCCCOC/C(N)=N\CC(C)C
InChIInChI=1S/C9H20N2O/c1-4-5-12-7-9(10)11-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyMHGCFKTUQJFGON-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.43
Rot. Bonds6

About N'-(2-methylpropyl)-2-propoxyethanimidamide

N'-(2-methylpropyl)-2-propoxyethanimidamide (PubChem CID 63181667) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(2-methylpropyl)-2-propoxyethanimidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-2-propoxyethanimidamide
PubChem CID63181667
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(2-methylpropyl)-2-propoxyethanimidamide
SMILESCCCOC/C(N)=N\CC(C)C
InChIInChI=1S/C9H20N2O/c1-4-5-12-7-9(10)11-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyMHGCFKTUQJFGON-UHFFFAOYSA-N
XLogP1.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.43
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-methylpropyl)-2-propoxyethanimidamide?
The IUPAC name of N'-(2-methylpropyl)-2-propoxyethanimidamide (CID 63181667) is N'-(2-methylpropyl)-2-propoxyethanimidamide.
What is the SMILES notation for N'-(2-methylpropyl)-2-propoxyethanimidamide?
The canonical SMILES for N'-(2-methylpropyl)-2-propoxyethanimidamide is CCCOC/C(N)=N\CC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-2-propoxyethanimidamide?
The InChIKey is MHGCFKTUQJFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-12-7-9(10)11-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-(2-methylpropyl)-2-propoxyethanimidamide?
N'-(2-methylpropyl)-2-propoxyethanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-2-propoxyethanimidamide is sourced from PubChem (CID 63181667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).