6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine

C10H22N2O — CID 146427989

IUPAC6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
SMILESNCCCCCCO[C@@H]1CCNC1
InChIInChI=1S/C10H22N2O/c11-6-3-1-2-4-8-13-10-5-7-12-9-10/h10,12H,1-9,11H2/t10-/m1/s1
InChIKeyNYQURSYJRXSVAK-SNVBAGLBSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds7

About 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine

6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine (PubChem CID 146427989) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine.

Molecular Properties

Compound Name6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
PubChem CID146427989
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
SMILESNCCCCCCO[C@@H]1CCNC1
InChIInChI=1S/C10H22N2O/c11-6-3-1-2-4-8-13-10-5-7-12-9-10/h10,12H,1-9,11H2/t10-/m1/s1
InChIKeyNYQURSYJRXSVAK-SNVBAGLBSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine?
The IUPAC name of 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine (CID 146427989) is 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine.
What is the SMILES notation for 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine?
The canonical SMILES for 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine is NCCCCCCO[C@@H]1CCNC1.
What is the InChIKey of 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine?
The InChIKey is NYQURSYJRXSVAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2O/c11-6-3-1-2-4-8-13-10-5-7-12-9-10/h10,12H,1-9,11H2/t10-/m1/s1.
What are the key properties of 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine?
6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine is sourced from PubChem (CID 146427989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).