2-dodecyl-2-propan-2-ylpyrrolidine

C19H39N — CID 66468316

IUPAC2-dodecyl-2-propan-2-ylpyrrolidine
SMILESCCCCCCCCCCCCC1(C(C)C)CCCN1
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-15-19(18(2)3)16-14-17-20-19/h18,20H,4-17H2,1-3H3
InChIKeyBUUROWBNDNEXDW-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.08
Rot. Bonds12

About 2-dodecyl-2-propan-2-ylpyrrolidine

2-dodecyl-2-propan-2-ylpyrrolidine (PubChem CID 66468316) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-dodecyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-dodecyl-2-propan-2-ylpyrrolidine
PubChem CID66468316
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-dodecyl-2-propan-2-ylpyrrolidine
SMILESCCCCCCCCCCCCC1(C(C)C)CCCN1
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-15-19(18(2)3)16-14-17-20-19/h18,20H,4-17H2,1-3H3
InChIKeyBUUROWBNDNEXDW-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-2-propan-2-ylazepane
CID 79119110
2-(3-methoxypropyl)-2-propan-2-ylpiperidine
CID 117271103
2-butyl-2-hexylpyrrolidine
CID 174534205
N,N-dimethyl-1-(2-propan-2-ylpyrrolidin-2-yl)methanamine
CID 117271095
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-(2-ethylbutyl)-2-propan-2-ylpyrrolidine
CID 82922353
2-butan-2-yl-2-propylpyrrolidine
CID 79443895
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-tert-butyl-2-nonylpyrrolidine
CID 66468101
2-(2-methoxyethyl)-2-propan-2-ylpiperidine
CID 117271109
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
CID 117271523
2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
CID 117271476

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-dodecyl-2-propan-2-ylpyrrolidine (CID 66468316) is 2-dodecyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-dodecyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-dodecyl-2-propan-2-ylpyrrolidine is CCCCCCCCCCCCC1(C(C)C)CCCN1.
What is the InChIKey of 2-dodecyl-2-propan-2-ylpyrrolidine?
The InChIKey is BUUROWBNDNEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-15-19(18(2)3)16-14-17-20-19/h18,20H,4-17H2,1-3H3.
What are the key properties of 2-dodecyl-2-propan-2-ylpyrrolidine?
2-dodecyl-2-propan-2-ylpyrrolidine has a molecular weight of 281.53 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 66468316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).