N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide

C10H18N2 — CID 123385442

IUPACN,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
SMILESC=C/C(=N\C(C)C(=C)C)N(C)C
InChIInChI=1S/C10H18N2/c1-7-10(12(5)6)11-9(4)8(2)3/h7,9H,1-2H2,3-6H3/b11-10+
InChIKeyAKSPRUPDVJVWFY-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.10
Rot. Bonds3

About N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide

N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide (PubChem CID 123385442) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
PubChem CID123385442
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
SMILESC=C/C(=N\C(C)C(=C)C)N(C)C
InChIInChI=1S/C10H18N2/c1-7-10(12(5)6)11-9(4)8(2)3/h7,9H,1-2H2,3-6H3/b11-10+
InChIKeyAKSPRUPDVJVWFY-ZHACJKMWSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide (CID 123385442) is N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide is C=C/C(=N\C(C)C(=C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The InChIKey is AKSPRUPDVJVWFY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-10(12(5)6)11-9(4)8(2)3/h7,9H,1-2H2,3-6H3/b11-10+.
What are the key properties of N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide is sourced from PubChem (CID 123385442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).