3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine

C13H25N — CID 134394852

IUPAC3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine
SMILESC=C1NCC(C)(CC(C)CC)C1(C)C
InChIInChI=1S/C13H25N/c1-7-10(2)8-13(6)9-14-11(3)12(13,4)5/h10,14H,3,7-9H2,1-2,4-6H3
InChIKeyHZSRLUDHFYQSBB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.57
Rot. Bonds3

About 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine

3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine (PubChem CID 134394852) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine.

Molecular Properties

Compound Name3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine
PubChem CID134394852
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine
SMILESC=C1NCC(C)(CC(C)CC)C1(C)C
InChIInChI=1S/C13H25N/c1-7-10(2)8-13(6)9-14-11(3)12(13,4)5/h10,14H,3,7-9H2,1-2,4-6H3
InChIKeyHZSRLUDHFYQSBB-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-Dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 174169277
1,2-Dimethyl-5-methylidene-6-azaspiro[2.4]heptane
CID 20774456
2-Tert-butyl-5-methylidenepyrrolidine
CID 57665262
CID 58052012
CID 58052012
3-Methylidene-2-azaspiro[4.5]decane
CID 58932694
4-Tert-butyl-2-methylidenepyrrolidine
CID 59151482
3-Tert-butyl-2-methylidenepyrrolidine
CID 59765883
2-Methylidene-4-(2-methylpropyl)pyrrolidine
CID 59927730
(4S)-2-methylidene-4-(2-methylpropyl)pyrrolidine
CID 66638941
2,3-Ditert-butyl-5-methylidenepyrrolidine
CID 68259001
1,2-Dimethyl-4-methylidene-5-azaspiro[2.4]heptane
CID 69674280
(3R,5R)-3-[(2S)-butan-2-yl]-N-ethyl-5-methylhept-1-en-2-amine
CID 87112833

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine?
The IUPAC name of 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine (CID 134394852) is 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine.
What is the SMILES notation for 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine?
The canonical SMILES for 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine is C=C1NCC(C)(CC(C)CC)C1(C)C.
What is the InChIKey of 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine?
The InChIKey is HZSRLUDHFYQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-7-10(2)8-13(6)9-14-11(3)12(13,4)5/h10,14H,3,7-9H2,1-2,4-6H3.
What are the key properties of 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine?
3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-4-(2-methylbutyl)-2-methylidenepyrrolidine is sourced from PubChem (CID 134394852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).