(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine

C10H22N2O — CID 2725041

IUPAC(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine
SMILESCCC(CC)(OC)[C@@H]1CCCN1N
InChIInChI=1S/C10H22N2O/c1-4-10(5-2,13-3)9-7-6-8-12(9)11/h9H,4-8,11H2,1-3H3/t9-/m0/s1
InChIKeyZGKOLJAEDXMVES-VIFPVBQESA-N
MW186.30 g/mol
LogP1.53
Rot. Bonds4

About (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine

(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine (PubChem CID 2725041) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine
PubChem CID2725041
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine
SMILESCCC(CC)(OC)[C@@H]1CCCN1N
InChIInChI=1S/C10H22N2O/c1-4-10(5-2,13-3)9-7-6-8-12(9)11/h9H,4-8,11H2,1-3H3/t9-/m0/s1
InChIKeyZGKOLJAEDXMVES-VIFPVBQESA-N
XLogP1.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine (CID 2725041) is (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine is CCC(CC)(OC)[C@@H]1CCCN1N.
What is the InChIKey of (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine?
The InChIKey is ZGKOLJAEDXMVES-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(5-2,13-3)9-7-6-8-12(9)11/h9H,4-8,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine?
(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine has a molecular weight of 186.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-amine is sourced from PubChem (CID 2725041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).