N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide

C9H18N2 — CID 178119748

IUPACN-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CC1(C)CC(C)C1
InChIInChI=1S/C9H18N2/c1-8-4-9(2,5-8)6-11(3)7-10/h7-8,10H,4-6H2,1-3H3/b10-7+
InChIKeyOWDISMIQGMLACN-JXMROGBWSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds3

About N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide

N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide (PubChem CID 178119748) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide
PubChem CID178119748
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CC1(C)CC(C)C1
InChIInChI=1S/C9H18N2/c1-8-4-9(2,5-8)6-11(3)7-10/h7-8,10H,4-6H2,1-3H3/b10-7+
InChIKeyOWDISMIQGMLACN-JXMROGBWSA-N
XLogP1.96
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
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-[(1,3-dimethylcyclobutyl)methyl]-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-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide?
The IUPAC name of N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide (CID 178119748) is N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide?
The canonical SMILES for N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide is [H]/N=C/N(C)CC1(C)CC(C)C1.
What is the InChIKey of N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide?
The InChIKey is OWDISMIQGMLACN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-4-9(2,5-8)6-11(3)7-10/h7-8,10H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide?
N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylcyclobutyl)methyl]-N-methylmethanimidamide is sourced from PubChem (CID 178119748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).