1-(2,2-dimethylundecan-3-yl)pyrrolidine

C17H35N — CID 150582277

IUPAC1-(2,2-dimethylundecan-3-yl)pyrrolidine
SMILESCCCCCCCCC(N1CCCC1)C(C)(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-13-16(17(2,3)4)18-14-11-12-15-18/h16H,5-15H2,1-4H3
InChIKeyIOBYAKKSDNSDQQ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.25
Rot. Bonds8

About 1-(2,2-dimethylundecan-3-yl)pyrrolidine

1-(2,2-dimethylundecan-3-yl)pyrrolidine (PubChem CID 150582277) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(2,2-dimethylundecan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethylundecan-3-yl)pyrrolidine
PubChem CID150582277
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(2,2-dimethylundecan-3-yl)pyrrolidine
SMILESCCCCCCCCC(N1CCCC1)C(C)(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-13-16(17(2,3)4)18-14-11-12-15-18/h16H,5-15H2,1-4H3
InChIKeyIOBYAKKSDNSDQQ-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.25
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-dodecan-2-ylpyrrolidine
CID 70871228
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-3-ylpiperidine
CID 68984931
1-decan-4-ylpiperidine
CID 142178259
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-piperidin-1-ylhexane-1-thiol
CID 135368476
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-methyl-2-pyrrolidin-1-yldecan-3-amine
CID 79055709
N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
CID 43130097

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylundecan-3-yl)pyrrolidine?
The IUPAC name of 1-(2,2-dimethylundecan-3-yl)pyrrolidine (CID 150582277) is 1-(2,2-dimethylundecan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,2-dimethylundecan-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,2-dimethylundecan-3-yl)pyrrolidine is CCCCCCCCC(N1CCCC1)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylundecan-3-yl)pyrrolidine?
The InChIKey is IOBYAKKSDNSDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-10-13-16(17(2,3)4)18-14-11-12-15-18/h16H,5-15H2,1-4H3.
What are the key properties of 1-(2,2-dimethylundecan-3-yl)pyrrolidine?
1-(2,2-dimethylundecan-3-yl)pyrrolidine has a molecular weight of 253.47 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylundecan-3-yl)pyrrolidine is sourced from PubChem (CID 150582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).