1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine

C14H25N — CID 176778556

IUPAC1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine
SMILESC=C1CCN(CC2(CC(C)(C)C)CC2)C1
InChIInChI=1S/C14H25N/c1-12-5-8-15(9-12)11-14(6-7-14)10-13(2,3)4/h1,5-11H2,2-4H3
InChIKeyBVLRKDNABMULSC-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.46
Rot. Bonds3

About 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine

1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine (PubChem CID 176778556) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine.

Molecular Properties

Compound Name1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine
PubChem CID176778556
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine
SMILESC=C1CCN(CC2(CC(C)(C)C)CC2)C1
InChIInChI=1S/C14H25N/c1-12-5-8-15(9-12)11-14(6-7-14)10-13(2,3)4/h1,5-11H2,2-4H3
InChIKeyBVLRKDNABMULSC-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine?
The IUPAC name of 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine (CID 176778556) is 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine.
What is the SMILES notation for 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine?
The canonical SMILES for 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine is C=C1CCN(CC2(CC(C)(C)C)CC2)C1.
What is the InChIKey of 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine?
The InChIKey is BVLRKDNABMULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12-5-8-15(9-12)11-14(6-7-14)10-13(2,3)4/h1,5-11H2,2-4H3.
What are the key properties of 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine?
1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-methylidenepyrrolidine is sourced from PubChem (CID 176778556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).