N-(2-pyrrolidin-2-ylethyl)octan-1-amine

C14H30N2 — CID 115568837

IUPACN-(2-pyrrolidin-2-ylethyl)octan-1-amine
SMILESCCCCCCCCNCCC1CCCN1
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-15-13-10-14-9-8-12-16-14/h14-16H,2-13H2,1H3
InChIKeyLMJUBJSRULXTIM-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.08
Rot. Bonds10

About N-(2-pyrrolidin-2-ylethyl)octan-1-amine

N-(2-pyrrolidin-2-ylethyl)octan-1-amine (PubChem CID 115568837) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)octan-1-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)octan-1-amine
PubChem CID115568837
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(2-pyrrolidin-2-ylethyl)octan-1-amine
SMILESCCCCCCCCNCCC1CCCN1
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-15-13-10-14-9-8-12-16-14/h14-16H,2-13H2,1H3
InChIKeyLMJUBJSRULXTIM-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hexylpyrrolidine
CID 7047826
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
2-tetradecylpiperidine
CID 151771246
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-heptadecylazepane
CID 4009189
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)octan-1-amine?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)octan-1-amine (CID 115568837) is N-(2-pyrrolidin-2-ylethyl)octan-1-amine.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)octan-1-amine?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)octan-1-amine is CCCCCCCCNCCC1CCCN1.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)octan-1-amine?
The InChIKey is LMJUBJSRULXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-15-13-10-14-9-8-12-16-14/h14-16H,2-13H2,1H3.
What are the key properties of N-(2-pyrrolidin-2-ylethyl)octan-1-amine?
N-(2-pyrrolidin-2-ylethyl)octan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)octan-1-amine is sourced from PubChem (CID 115568837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).