1-(3-pentyldecyl)pyrrolidine

C19H39N — CID 130279619

IUPAC1-(3-pentyldecyl)pyrrolidine
SMILESCCCCCCCC(CCCCC)CCN1CCCC1
InChIInChI=1S/C19H39N/c1-3-5-7-8-10-14-19(13-9-6-4-2)15-18-20-16-11-12-17-20/h19H,3-18H2,1-2H3
InChIKeyYWWPWSUFBWPLRB-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.03
Rot. Bonds13

About 1-(3-pentyldecyl)pyrrolidine

1-(3-pentyldecyl)pyrrolidine (PubChem CID 130279619) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(3-pentyldecyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-pentyldecyl)pyrrolidine
PubChem CID130279619
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(3-pentyldecyl)pyrrolidine
SMILESCCCCCCCC(CCCCC)CCN1CCCC1
InChIInChI=1S/C19H39N/c1-3-5-7-8-10-14-19(13-9-6-4-2)15-18-20-16-11-12-17-20/h19H,3-18H2,1-2H3
InChIKeyYWWPWSUFBWPLRB-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(4-pentylnonyl)piperidine
CID 68557490
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
17-pentylhexatriacontane
CID 91327833
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023

Frequently Asked Questions

What is the IUPAC name of 1-(3-pentyldecyl)pyrrolidine?
The IUPAC name of 1-(3-pentyldecyl)pyrrolidine (CID 130279619) is 1-(3-pentyldecyl)pyrrolidine.
What is the SMILES notation for 1-(3-pentyldecyl)pyrrolidine?
The canonical SMILES for 1-(3-pentyldecyl)pyrrolidine is CCCCCCCC(CCCCC)CCN1CCCC1.
What is the InChIKey of 1-(3-pentyldecyl)pyrrolidine?
The InChIKey is YWWPWSUFBWPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-7-8-10-14-19(13-9-6-4-2)15-18-20-16-11-12-17-20/h19H,3-18H2,1-2H3.
What are the key properties of 1-(3-pentyldecyl)pyrrolidine?
1-(3-pentyldecyl)pyrrolidine has a molecular weight of 281.53 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentyldecyl)pyrrolidine is sourced from PubChem (CID 130279619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).