1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine

C10H22N2O — CID 118883339

IUPAC1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
SMILESCC(N)COCCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-10(11)9-13-8-4-7-12-5-2-3-6-12/h10H,2-9,11H2,1H3
InChIKeyQWLDVFWIKXOKHO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds6

About 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine

1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine (PubChem CID 118883339) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
PubChem CID118883339
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
SMILESCC(N)COCCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-10(11)9-13-8-4-7-12-5-2-3-6-12/h10H,2-9,11H2,1H3
InChIKeyQWLDVFWIKXOKHO-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
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 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine (CID 118883339) is 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine is CC(N)COCCCN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine?
The InChIKey is QWLDVFWIKXOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(11)9-13-8-4-7-12-5-2-3-6-12/h10H,2-9,11H2,1H3.
What are the key properties of 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine?
1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine is sourced from PubChem (CID 118883339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).