N,N'-diethyl-N-propan-2-ylethanimidamide

C9H20N2 — CID 20627978

IUPACN,N'-diethyl-N-propan-2-ylethanimidamide
SMILESCC/N=C(\C)N(CC)C(C)C
InChIInChI=1S/C9H20N2/c1-6-10-9(5)11(7-2)8(3)4/h8H,6-7H2,1-5H3/b10-9+
InChIKeyOVIVUJKIILYEQT-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.15
Rot. Bonds3

About N,N'-diethyl-N-propan-2-ylethanimidamide

N,N'-diethyl-N-propan-2-ylethanimidamide (PubChem CID 20627978) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N'-diethyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-propan-2-ylethanimidamide
PubChem CID20627978
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N'-diethyl-N-propan-2-ylethanimidamide
SMILESCC/N=C(\C)N(CC)C(C)C
InChIInChI=1S/C9H20N2/c1-6-10-9(5)11(7-2)8(3)4/h8H,6-7H2,1-5H3/b10-9+
InChIKeyOVIVUJKIILYEQT-MDZDMXLPSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
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 N,N'-diethyl-N-propan-2-ylethanimidamide?
The IUPAC name of N,N'-diethyl-N-propan-2-ylethanimidamide (CID 20627978) is N,N'-diethyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N,N'-diethyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N,N'-diethyl-N-propan-2-ylethanimidamide is CC/N=C(\C)N(CC)C(C)C.
What is the InChIKey of N,N'-diethyl-N-propan-2-ylethanimidamide?
The InChIKey is OVIVUJKIILYEQT-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-10-9(5)11(7-2)8(3)4/h8H,6-7H2,1-5H3/b10-9+.
What are the key properties of N,N'-diethyl-N-propan-2-ylethanimidamide?
N,N'-diethyl-N-propan-2-ylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 20627978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).