(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine

C15H30N2O — CID 126735898

IUPAC(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC(C2CCCCCCC2)[C@H](N)C1
InChIInChI=1S/C15H30N2O/c1-18-10-9-17-11-14(15(16)12-17)13-7-5-3-2-4-6-8-13/h13-15H,2-12,16H2,1H3/t14?,15-/m1/s1
InChIKeyCRVKBBYCQZKJGB-YSSOQSIOSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

About (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 126735898) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID126735898
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC(C2CCCCCCC2)[C@H](N)C1
InChIInChI=1S/C15H30N2O/c1-18-10-9-17-11-14(15(16)12-17)13-7-5-3-2-4-6-8-13/h13-15H,2-12,16H2,1H3/t14?,15-/m1/s1
InChIKeyCRVKBBYCQZKJGB-YSSOQSIOSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 126735898) is (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CC(C2CCCCCCC2)[C@H](N)C1.
What is the InChIKey of (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is CRVKBBYCQZKJGB-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-10-9-17-11-14(15(16)12-17)13-7-5-3-2-4-6-8-13/h13-15H,2-12,16H2,1H3/t14?,15-/m1/s1.
What are the key properties of (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclooctyl-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 126735898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).