N-butyl-N-methylmethanimidamide

C6H14N2 — CID 12914603

IUPACN-butyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CCCC
InChIInChI=1S/C6H14N2/c1-3-4-5-8(2)6-7/h6-7H,3-5H2,1-2H3/b7-6+
InChIKeyQXZYEZKFOVLHIG-VOTSOKGWSA-N
MW114.19 g/mol
LogP1.33
Rot. Bonds4

About N-butyl-N-methylmethanimidamide

N-butyl-N-methylmethanimidamide (PubChem CID 12914603) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-butyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-butyl-N-methylmethanimidamide
PubChem CID12914603
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-butyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CCCC
InChIInChI=1S/C6H14N2/c1-3-4-5-8(2)6-7/h6-7H,3-5H2,1-2H3/b7-6+
InChIKeyQXZYEZKFOVLHIG-VOTSOKGWSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.33
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'}

Analyze N-butyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylmethanimidamide?
The IUPAC name of N-butyl-N-methylmethanimidamide (CID 12914603) is N-butyl-N-methylmethanimidamide.
What is the SMILES notation for N-butyl-N-methylmethanimidamide?
The canonical SMILES for N-butyl-N-methylmethanimidamide is [H]/N=C/N(C)CCCC.
What is the InChIKey of N-butyl-N-methylmethanimidamide?
The InChIKey is QXZYEZKFOVLHIG-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-5-8(2)6-7/h6-7H,3-5H2,1-2H3/b7-6+.
What are the key properties of N-butyl-N-methylmethanimidamide?
N-butyl-N-methylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylmethanimidamide is sourced from PubChem (CID 12914603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).