1-methanidyl-3,3-dimethylpyrrolidine

C7H14N- — CID 59704518

IUPAC1-methanidyl-3,3-dimethylpyrrolidine
SMILES[CH2-]N1CCC(C)(C)C1
InChIInChI=1S/C7H14N/c1-7(2)4-5-8(3)6-7/h3-6H2,1-2H3/q-1
InChIKeyYOFWHZRASBXQNY-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.51
Rot. Bonds

About 1-methanidyl-3,3-dimethylpyrrolidine

1-methanidyl-3,3-dimethylpyrrolidine (PubChem CID 59704518) has the molecular formula C7H14N- and a molecular weight of 112.20 g/mol. Its IUPAC name is 1-methanidyl-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-methanidyl-3,3-dimethylpyrrolidine
PubChem CID59704518
Molecular FormulaC7H14N-
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name1-methanidyl-3,3-dimethylpyrrolidine
SMILES[CH2-]N1CCC(C)(C)C1
InChIInChI=1S/C7H14N/c1-7(2)4-5-8(3)6-7/h3-6H2,1-2H3/q-1
InChIKeyYOFWHZRASBXQNY-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-methanidyl-3,3-dimethylpyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

methane;1,3,3-trimethylpyrrolidine
CID 158632756
3,3-dimethyl-1-sulfanylpyrrolidine
CID 143872157
1-hydroxy-3,3-dimethylpyrrolidine
CID 119097491
2-methanidyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 59835771
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
CID 59704491
methoxymethane;1,3,3-trimethylpyrrolidine
CID 166534043
N,3,3-trimethylpyrrolidin-1-amine
CID 143246340
1-(3,3-dimethylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107032417
1-(2-chloroethyl)-3,3-dimethylpyrrolidine
CID 18182640
1-hydroxy-4,4-dimethylpiperidine
CID 90735582
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-3,3-dimethylpyrrolidine?
The IUPAC name of 1-methanidyl-3,3-dimethylpyrrolidine (CID 59704518) is 1-methanidyl-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1-methanidyl-3,3-dimethylpyrrolidine?
The canonical SMILES for 1-methanidyl-3,3-dimethylpyrrolidine is [CH2-]N1CCC(C)(C)C1.
What is the InChIKey of 1-methanidyl-3,3-dimethylpyrrolidine?
The InChIKey is YOFWHZRASBXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-7(2)4-5-8(3)6-7/h3-6H2,1-2H3/q-1.
What are the key properties of 1-methanidyl-3,3-dimethylpyrrolidine?
1-methanidyl-3,3-dimethylpyrrolidine has a molecular weight of 112.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3,3-dimethylpyrrolidine is sourced from PubChem (CID 59704518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).