3-butylpyrrolidine

C8H17N — CID 17389761

IUPAC3-butylpyrrolidine
SMILESCCCCC1CCNC1
InChIInChI=1S/C8H17N/c1-2-3-4-8-5-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyKJQYMASXDMSGQU-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.79
Rot. Bonds3

About 3-butylpyrrolidine

3-butylpyrrolidine (PubChem CID 17389761) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-butylpyrrolidine.

Molecular Properties

Compound Name3-butylpyrrolidine
PubChem CID17389761
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-butylpyrrolidine
SMILESCCCCC1CCNC1
InChIInChI=1S/C8H17N/c1-2-3-4-8-5-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyKJQYMASXDMSGQU-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
(Cyclohexylmethyl)(methyl)amine
CID 117276
3-Propylpiperidine
CID 114550
2-Cyclohexylpyrrolidine
CID 4637746
2-(2-Methylpropyl)pyrrolidine
CID 3613277
3-Cyclohexylpyrrolidine
CID 3159730
3-Propylpyrrolidine
CID 12648198
2-(Propan-2-yl)pyrrolidine
CID 3855943
3,3-Diethylpyrrolidine
CID 19090605
2-Sec-butylpyrrolidine
CID 3563411
3-Ethylpyrrolidine
CID 12648195

Frequently Asked Questions

What is the IUPAC name of 3-butylpyrrolidine?
The IUPAC name of 3-butylpyrrolidine (CID 17389761) is 3-butylpyrrolidine.
What is the SMILES notation for 3-butylpyrrolidine?
The canonical SMILES for 3-butylpyrrolidine is CCCCC1CCNC1.
What is the InChIKey of 3-butylpyrrolidine?
The InChIKey is KJQYMASXDMSGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-3-4-8-5-6-9-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-butylpyrrolidine?
3-butylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyrrolidine is sourced from PubChem (CID 17389761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).