N,N'-dimethyl-3-methylidenepentanimidamide

C8H16N2 — CID 139540855

IUPACN,N'-dimethyl-3-methylidenepentanimidamide
SMILESC=C(CC)C/C(=N/C)NC
InChIInChI=1S/C8H16N2/c1-5-7(2)6-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H,9,10)
InChIKeyYDSZMUAGLPVGGJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.59
Rot. Bonds3

About N,N'-dimethyl-3-methylidenepentanimidamide

N,N'-dimethyl-3-methylidenepentanimidamide (PubChem CID 139540855) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N'-dimethyl-3-methylidenepentanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-3-methylidenepentanimidamide
PubChem CID139540855
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N'-dimethyl-3-methylidenepentanimidamide
SMILESC=C(CC)C/C(=N/C)NC
InChIInChI=1S/C8H16N2/c1-5-7(2)6-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H,9,10)
InChIKeyYDSZMUAGLPVGGJ-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-3-methylidenepentanimidamide?
The IUPAC name of N,N'-dimethyl-3-methylidenepentanimidamide (CID 139540855) is N,N'-dimethyl-3-methylidenepentanimidamide.
What is the SMILES notation for N,N'-dimethyl-3-methylidenepentanimidamide?
The canonical SMILES for N,N'-dimethyl-3-methylidenepentanimidamide is C=C(CC)C/C(=N/C)NC.
What is the InChIKey of N,N'-dimethyl-3-methylidenepentanimidamide?
The InChIKey is YDSZMUAGLPVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(2)6-8(9-3)10-4/h2,5-6H2,1,3-4H3,(H,9,10).
What are the key properties of N,N'-dimethyl-3-methylidenepentanimidamide?
N,N'-dimethyl-3-methylidenepentanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-3-methylidenepentanimidamide is sourced from PubChem (CID 139540855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).