(4-pentyloxolan-2-yl)methanamine

C10H21NO — CID 67817360

IUPAC(4-pentyloxolan-2-yl)methanamine
SMILESCCCCCC1COC(CN)C1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-9-6-10(7-11)12-8-9/h9-10H,2-8,11H2,1H3
InChIKeyLTSPGZYGCQMZNW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds5

About (4-pentyloxolan-2-yl)methanamine

(4-pentyloxolan-2-yl)methanamine (PubChem CID 67817360) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4-pentyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-pentyloxolan-2-yl)methanamine
PubChem CID67817360
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4-pentyloxolan-2-yl)methanamine
SMILESCCCCCC1COC(CN)C1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-9-6-10(7-11)12-8-9/h9-10H,2-8,11H2,1H3
InChIKeyLTSPGZYGCQMZNW-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
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 (4-pentyloxolan-2-yl)methanamine?
The IUPAC name of (4-pentyloxolan-2-yl)methanamine (CID 67817360) is (4-pentyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-pentyloxolan-2-yl)methanamine?
The canonical SMILES for (4-pentyloxolan-2-yl)methanamine is CCCCCC1COC(CN)C1.
What is the InChIKey of (4-pentyloxolan-2-yl)methanamine?
The InChIKey is LTSPGZYGCQMZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-5-9-6-10(7-11)12-8-9/h9-10H,2-8,11H2,1H3.
What are the key properties of (4-pentyloxolan-2-yl)methanamine?
(4-pentyloxolan-2-yl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyloxolan-2-yl)methanamine is sourced from PubChem (CID 67817360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).