3-(3-methylbutyl)pyrrolidine

C9H19N — CID 53409754

IUPAC3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCNC1
InChIInChI=1S/C9H19N/c1-8(2)3-4-9-5-6-10-7-9/h8-10H,3-7H2,1-2H3
InChIKeyMJDVTFNHQHFKTM-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds3

About 3-(3-methylbutyl)pyrrolidine

3-(3-methylbutyl)pyrrolidine (PubChem CID 53409754) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-methylbutyl)pyrrolidine
PubChem CID53409754
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCNC1
InChIInChI=1S/C9H19N/c1-8(2)3-4-9-5-6-10-7-9/h8-10H,3-7H2,1-2H3
InChIKeyMJDVTFNHQHFKTM-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 7791
CID 7791
CID 10406
CID 10406
CID 19917
CID 19917
CID 114486
CID 114486
CID 3613277
CID 3613277
CID 3159730
CID 3159730
CID 4442674
CID 4442674
CID 12648198
CID 12648198
CID 3563411
CID 3563411
CID 551629
CID 551629
CID 17389761
CID 17389761
CID 104441
CID 104441

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)pyrrolidine?
The IUPAC name of 3-(3-methylbutyl)pyrrolidine (CID 53409754) is 3-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 3-(3-methylbutyl)pyrrolidine is CC(C)CCC1CCNC1.
What is the InChIKey of 3-(3-methylbutyl)pyrrolidine?
The InChIKey is MJDVTFNHQHFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)3-4-9-5-6-10-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)pyrrolidine?
3-(3-methylbutyl)pyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 53409754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).