3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine

C14H25NO — CID 115741803

IUPAC3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
SMILESC1=C(CNCCCC2CCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-6-13(5-1)7-3-9-15-11-14-8-4-10-16-12-14/h8,13,15H,1-7,9-12H2
InChIKeyUQGSXLASXWQPCI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds6

About 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine

3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine (PubChem CID 115741803) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
PubChem CID115741803
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
SMILESC1=C(CNCCCC2CCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-6-13(5-1)7-3-9-15-11-14-8-4-10-16-12-14/h8,13,15H,1-7,9-12H2
InChIKeyUQGSXLASXWQPCI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine (CID 115741803) is 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine is C1=C(CNCCCC2CCCC2)COCC1.
What is the InChIKey of 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The InChIKey is UQGSXLASXWQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-6-13(5-1)7-3-9-15-11-14-8-4-10-16-12-14/h8,13,15H,1-7,9-12H2.
What are the key properties of 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 115741803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).