N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide

C9H18N2 — CID 123367208

IUPACN'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N(/C(C)=N/C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)10-6/h8H,1H2,2-6H3/b10-9+
InChIKeyZWBWAPYZOSTBDY-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds2

About N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide

N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide (PubChem CID 123367208) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
PubChem CID123367208
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N(/C(C)=N/C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)10-6/h8H,1H2,2-6H3/b10-9+
InChIKeyZWBWAPYZOSTBDY-MDZDMXLPSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
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'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide (CID 123367208) is N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide is C=C(C)N(/C(C)=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is ZWBWAPYZOSTBDY-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)10-6/h8H,1H2,2-6H3/b10-9+.
What are the key properties of N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide?
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 123367208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).