N'-(2-methylbutyl)methanimidamide

C6H14N2 — CID 88931740

IUPACN'-(2-methylbutyl)methanimidamide
SMILESCCC(C)C/N=C/N
InChIInChI=1S/C6H14N2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3,(H2,7,8)
InChIKeyQCJAZNCDDGLTGX-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.02
Rot. Bonds3

About N'-(2-methylbutyl)methanimidamide

N'-(2-methylbutyl)methanimidamide (PubChem CID 88931740) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-(2-methylbutyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-methylbutyl)methanimidamide
PubChem CID88931740
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-(2-methylbutyl)methanimidamide
SMILESCCC(C)C/N=C/N
InChIInChI=1S/C6H14N2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3,(H2,7,8)
InChIKeyQCJAZNCDDGLTGX-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.02
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'}

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Related Compounds

methyl N-(2-methylbutyl)methanimidothioate
CID 123835889
[(2R)-2-methylbutyl]diazene
CID 88856241
N'-butan-2-ylmethanimidamide
CID 13225428
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
ethane;3-methylpentane
CID 91147782
N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
CID 139551304
(Z)-N-(2-methylbutyl)pent-3-en-2-imine
CID 123418366
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
N'-[2-(aminomethyl)but-3-enyl]methanimidamide
CID 130349858

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbutyl)methanimidamide?
The IUPAC name of N'-(2-methylbutyl)methanimidamide (CID 88931740) is N'-(2-methylbutyl)methanimidamide.
What is the SMILES notation for N'-(2-methylbutyl)methanimidamide?
The canonical SMILES for N'-(2-methylbutyl)methanimidamide is CCC(C)C/N=C/N.
What is the InChIKey of N'-(2-methylbutyl)methanimidamide?
The InChIKey is QCJAZNCDDGLTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of N'-(2-methylbutyl)methanimidamide?
N'-(2-methylbutyl)methanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbutyl)methanimidamide is sourced from PubChem (CID 88931740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).