1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine

C12H23N — CID 58391561

IUPAC1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1CCCC(C)(C)C
InChIInChI=1S/C12H23N/c1-11-7-5-9-13(11)10-6-8-12(2,3)4/h1,5-10H2,2-4H3
InChIKeyWHGIHYJKENSNEV-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds3

About 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine

1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine (PubChem CID 58391561) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine
PubChem CID58391561
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1CCCC(C)(C)C
InChIInChI=1S/C12H23N/c1-11-7-5-9-13(11)10-6-8-12(2,3)4/h1,5-10H2,2-4H3
InChIKeyWHGIHYJKENSNEV-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine (CID 58391561) is 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine is C=C1CCCN1CCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine?
The InChIKey is WHGIHYJKENSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11-7-5-9-13(11)10-6-8-12(2,3)4/h1,5-10H2,2-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine?
1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-2-methylidenepyrrolidine is sourced from PubChem (CID 58391561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).