1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine

C13H27N — CID 58283754

IUPAC1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
SMILESCC(CC1CCN(C)C1)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-11(9-13(2,3)4)8-12-6-7-14(5)10-12/h11-12H,6-10H2,1-5H3
InChIKeyHZANEJOAEABMCY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds3

About 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine

1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine (PubChem CID 58283754) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
PubChem CID58283754
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
SMILESCC(CC1CCN(C)C1)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-11(9-13(2,3)4)8-12-6-7-14(5)10-12/h11-12H,6-10H2,1-5H3
InChIKeyHZANEJOAEABMCY-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 116924914
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
CID 116931781
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
CID 142409504
2-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine (CID 58283754) is 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine is CC(CC1CCN(C)C1)CC(C)(C)C.
What is the InChIKey of 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine?
The InChIKey is HZANEJOAEABMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(9-13(2,3)4)8-12-6-7-14(5)10-12/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine?
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine is sourced from PubChem (CID 58283754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).