3-(oxolan-2-yl)-N-propylpropan-1-amine

C10H21NO — CID 62550200

IUPAC3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CCCO1
InChIInChI=1S/C10H21NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h10-11H,2-9H2,1H3
InChIKeyYKBUFCJIQZUCEH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds6

About 3-(oxolan-2-yl)-N-propylpropan-1-amine

3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 62550200) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID62550200
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CCCO1
InChIInChI=1S/C10H21NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h10-11H,2-9H2,1H3
InChIKeyYKBUFCJIQZUCEH-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 62550200) is 3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is YKBUFCJIQZUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-N-propylpropan-1-amine?
3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).