N,N-dimethyl-N'-(3-methylbutyl)methanimidamide

C8H18N2 — CID 101118140

IUPACN,N-dimethyl-N'-(3-methylbutyl)methanimidamide
SMILESCC(C)CC/N=C/N(C)C
InChIInChI=1S/C8H18N2/c1-8(2)5-6-9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyWGNHQJUDIVNKPR-VQHVLOKHSA-N
MW142.25 g/mol
LogP1.62
Rot. Bonds4

About N,N-dimethyl-N'-(3-methylbutyl)methanimidamide

N,N-dimethyl-N'-(3-methylbutyl)methanimidamide (PubChem CID 101118140) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylbutyl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylbutyl)methanimidamide
PubChem CID101118140
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethyl-N'-(3-methylbutyl)methanimidamide
SMILESCC(C)CC/N=C/N(C)C
InChIInChI=1S/C8H18N2/c1-8(2)5-6-9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyWGNHQJUDIVNKPR-VQHVLOKHSA-N
XLogP1.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.62
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'-(3-methylbutyl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methylbutyl)methanimidamide (CID 101118140) is N,N-dimethyl-N'-(3-methylbutyl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylbutyl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methylbutyl)methanimidamide is CC(C)CC/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylbutyl)methanimidamide?
The InChIKey is WGNHQJUDIVNKPR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)5-6-9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of N,N-dimethyl-N'-(3-methylbutyl)methanimidamide?
N,N-dimethyl-N'-(3-methylbutyl)methanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.62, 4 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-methylbutyl)methanimidamide is sourced from PubChem (CID 101118140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).