(2R)-N'-ethyl-2-methylpentanimidamide

C8H18N2 — CID 149048954

IUPAC(2R)-N'-ethyl-2-methylpentanimidamide
SMILESCCC[C@@H](C)/C(N)=N/CC
InChIInChI=1S/C8H18N2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3,(H2,9,10)/t7-/m1/s1
InChIKeyQJKWJAPJEOCKEF-SSDOTTSWSA-N
MW142.25 g/mol
LogP1.80
Rot. Bonds4

About (2R)-N'-ethyl-2-methylpentanimidamide

(2R)-N'-ethyl-2-methylpentanimidamide (PubChem CID 149048954) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2R)-N'-ethyl-2-methylpentanimidamide.

Molecular Properties

Compound Name(2R)-N'-ethyl-2-methylpentanimidamide
PubChem CID149048954
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2R)-N'-ethyl-2-methylpentanimidamide
SMILESCCC[C@@H](C)/C(N)=N/CC
InChIInChI=1S/C8H18N2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3,(H2,9,10)/t7-/m1/s1
InChIKeyQJKWJAPJEOCKEF-SSDOTTSWSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2R)-N'-ethyl-2-methylpentanimidamide?
The IUPAC name of (2R)-N'-ethyl-2-methylpentanimidamide (CID 149048954) is (2R)-N'-ethyl-2-methylpentanimidamide.
What is the SMILES notation for (2R)-N'-ethyl-2-methylpentanimidamide?
The canonical SMILES for (2R)-N'-ethyl-2-methylpentanimidamide is CCC[C@@H](C)/C(N)=N/CC.
What is the InChIKey of (2R)-N'-ethyl-2-methylpentanimidamide?
The InChIKey is QJKWJAPJEOCKEF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3,(H2,9,10)/t7-/m1/s1.
What are the key properties of (2R)-N'-ethyl-2-methylpentanimidamide?
(2R)-N'-ethyl-2-methylpentanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-ethyl-2-methylpentanimidamide is sourced from PubChem (CID 149048954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).