3-pentoxy-N-propylcyclobutan-1-amine

C12H25NO — CID 66357060

IUPAC3-pentoxy-N-propylcyclobutan-1-amine
SMILESCCCCCOC1CC(NCCC)C1
InChIInChI=1S/C12H25NO/c1-3-5-6-8-14-12-9-11(10-12)13-7-4-2/h11-13H,3-10H2,1-2H3
InChIKeyHPCOXYHZGHBKFS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds8

About 3-pentoxy-N-propylcyclobutan-1-amine

3-pentoxy-N-propylcyclobutan-1-amine (PubChem CID 66357060) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-pentoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-pentoxy-N-propylcyclobutan-1-amine
PubChem CID66357060
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-pentoxy-N-propylcyclobutan-1-amine
SMILESCCCCCOC1CC(NCCC)C1
InChIInChI=1S/C12H25NO/c1-3-5-6-8-14-12-9-11(10-12)13-7-4-2/h11-13H,3-10H2,1-2H3
InChIKeyHPCOXYHZGHBKFS-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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-pentoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-pentoxy-N-propylcyclobutan-1-amine (CID 66357060) is 3-pentoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-pentoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-pentoxy-N-propylcyclobutan-1-amine is CCCCCOC1CC(NCCC)C1.
What is the InChIKey of 3-pentoxy-N-propylcyclobutan-1-amine?
The InChIKey is HPCOXYHZGHBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-8-14-12-9-11(10-12)13-7-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-pentoxy-N-propylcyclobutan-1-amine?
3-pentoxy-N-propylcyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).