N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide

C9H18N2 — CID 155004849

IUPACN,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(\C)N(C)/C(C)=N/C
InChIInChI=1S/C9H18N2/c1-6-7-8(2)11(5)9(3)10-4/h7H,6H2,1-5H3/b8-7+,10-9+
InChIKeyURIGTMBHMKOSKS-XBLVEGMJSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds2

About N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide

N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide (PubChem CID 155004849) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide
PubChem CID155004849
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(\C)N(C)/C(C)=N/C
InChIInChI=1S/C9H18N2/c1-6-7-8(2)11(5)9(3)10-4/h7H,6H2,1-5H3/b8-7+,10-9+
InChIKeyURIGTMBHMKOSKS-XBLVEGMJSA-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,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide?
The IUPAC name of N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide (CID 155004849) is N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide is CC/C=C(\C)N(C)/C(C)=N/C.
What is the InChIKey of N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide?
The InChIKey is URIGTMBHMKOSKS-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-7-8(2)11(5)9(3)10-4/h7H,6H2,1-5H3/b8-7+,10-9+.
What are the key properties of N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide?
N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide 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,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 155004849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).