1-(1-cyclooctylpyrrolidin-3-yl)ethanamine

C14H28N2 — CID 103975759

IUPAC1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-12(15)13-9-10-16(11-13)14-7-5-3-2-4-6-8-14/h12-14H,2-11,15H2,1H3
InChIKeyVZPCNCOPJCFITA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds2

About 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine

1-(1-cyclooctylpyrrolidin-3-yl)ethanamine (PubChem CID 103975759) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
PubChem CID103975759
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-12(15)13-9-10-16(11-13)14-7-5-3-2-4-6-8-14/h12-14H,2-11,15H2,1H3
InChIKeyVZPCNCOPJCFITA-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975545
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088932
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]ethanamine
CID 64754901
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-(4-cyclohexylmorpholin-2-yl)ethanamine
CID 115315020
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine (CID 103975759) is 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine is CC(N)C1CCN(C2CCCCCCC2)C1.
What is the InChIKey of 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine?
The InChIKey is VZPCNCOPJCFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(15)13-9-10-16(11-13)14-7-5-3-2-4-6-8-14/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine?
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 103975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).