1-methanidyl-2-propan-2-ylpyrrolidine

C8H16N- — CID 72524813

IUPAC1-methanidyl-2-propan-2-ylpyrrolidine
SMILES[CH2-]N1CCCC1C(C)C
InChIInChI=1S/C8H16N/c1-7(2)8-5-4-6-9(8)3/h7-8H,3-6H2,1-2H3/q-1
InChIKeyZHDJOZWJEJHQST-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.90
Rot. Bonds1

About 1-methanidyl-2-propan-2-ylpyrrolidine

1-methanidyl-2-propan-2-ylpyrrolidine (PubChem CID 72524813) has the molecular formula C8H16N- and a molecular weight of 126.22 g/mol. Its IUPAC name is 1-methanidyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methanidyl-2-propan-2-ylpyrrolidine
PubChem CID72524813
Molecular FormulaC8H16N-
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name1-methanidyl-2-propan-2-ylpyrrolidine
SMILES[CH2-]N1CCCC1C(C)C
InChIInChI=1S/C8H16N/c1-7(2)8-5-4-6-9(8)3/h7-8H,3-6H2,1-2H3/q-1
InChIKeyZHDJOZWJEJHQST-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
1-(1-fluoropyrrolidin-2-yl)ethanol
CID 172818721
1,2-di(propan-2-yl)azocane
CID 134605032
1-methyl-2-propan-2-ylazetidine
CID 23588958
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
1-cyclobutyl-2-propan-2-ylpiperidine
CID 130669810
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-methanidyl-2-propan-2-ylpyrrolidine (CID 72524813) is 1-methanidyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methanidyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methanidyl-2-propan-2-ylpyrrolidine is [CH2-]N1CCCC1C(C)C.
What is the InChIKey of 1-methanidyl-2-propan-2-ylpyrrolidine?
The InChIKey is ZHDJOZWJEJHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-7(2)8-5-4-6-9(8)3/h7-8H,3-6H2,1-2H3/q-1.
What are the key properties of 1-methanidyl-2-propan-2-ylpyrrolidine?
1-methanidyl-2-propan-2-ylpyrrolidine has a molecular weight of 126.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 72524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).