N'-(3-methoxy-2-methylpropyl)propanimidamide

C8H18N2O — CID 63177797

IUPACN'-(3-methoxy-2-methylpropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)COC
InChIInChI=1S/C8H18N2O/c1-4-8(9)10-5-7(2)6-11-3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyIHEAWLWXCCISSJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.04
Rot. Bonds5

About N'-(3-methoxy-2-methylpropyl)propanimidamide

N'-(3-methoxy-2-methylpropyl)propanimidamide (PubChem CID 63177797) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(3-methoxy-2-methylpropyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-methoxy-2-methylpropyl)propanimidamide
PubChem CID63177797
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(3-methoxy-2-methylpropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)COC
InChIInChI=1S/C8H18N2O/c1-4-8(9)10-5-7(2)6-11-3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyIHEAWLWXCCISSJ-UHFFFAOYSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.04
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

1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine
CID 124628881
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420
methane;1-methoxy-2-methylbutane
CID 159281556
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 104885101
N'-(2-methylpropyl)-2-propoxyethanimidamide
CID 63181667
N'-(2-methoxy-2-methylpropyl)propanimidamide
CID 104766080
butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
CID 160861824
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
CID 63174026
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2-methylpropyl)propanimidamide?
The IUPAC name of N'-(3-methoxy-2-methylpropyl)propanimidamide (CID 63177797) is N'-(3-methoxy-2-methylpropyl)propanimidamide.
What is the SMILES notation for N'-(3-methoxy-2-methylpropyl)propanimidamide?
The canonical SMILES for N'-(3-methoxy-2-methylpropyl)propanimidamide is CC/C(N)=N\CC(C)COC.
What is the InChIKey of N'-(3-methoxy-2-methylpropyl)propanimidamide?
The InChIKey is IHEAWLWXCCISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-8(9)10-5-7(2)6-11-3/h7H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-(3-methoxy-2-methylpropyl)propanimidamide?
N'-(3-methoxy-2-methylpropyl)propanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2-methylpropyl)propanimidamide is sourced from PubChem (CID 63177797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).