1-methyl-3-(3-methylbutyl)pyrrolidine

C10H21N — CID 58945066

IUPAC1-methyl-3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCN(C)C1
InChIInChI=1S/C10H21N/c1-9(2)4-5-10-6-7-11(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyKUMKLXWSMARORY-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds3

About 1-methyl-3-(3-methylbutyl)pyrrolidine

1-methyl-3-(3-methylbutyl)pyrrolidine (PubChem CID 58945066) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)pyrrolidine
PubChem CID58945066
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-methyl-3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCN(C)C1
InChIInChI=1S/C10H21N/c1-9(2)4-5-10-6-7-11(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyKUMKLXWSMARORY-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine
CID 122661427
2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
CID 142228000
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(3-methylbutyl)pyrrolidine (CID 58945066) is 1-methyl-3-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)pyrrolidine is CC(C)CCC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)pyrrolidine?
The InChIKey is KUMKLXWSMARORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)4-5-10-6-7-11(3)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)pyrrolidine?
1-methyl-3-(3-methylbutyl)pyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 58945066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).