4-(cyclopentylmethoxy)but-2-en-1-amine

C10H19NO — CID 77124845

IUPAC4-(cyclopentylmethoxy)but-2-en-1-amine
SMILESNCC=CCOCC1CCCC1
InChIInChI=1S/C10H19NO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h3-4,10H,1-2,5-9,11H2
InChIKeyNKTALWMFOXHKKJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds5

About 4-(cyclopentylmethoxy)but-2-en-1-amine

4-(cyclopentylmethoxy)but-2-en-1-amine (PubChem CID 77124845) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)but-2-en-1-amine
PubChem CID77124845
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(cyclopentylmethoxy)but-2-en-1-amine
SMILESNCC=CCOCC1CCCC1
InChIInChI=1S/C10H19NO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h3-4,10H,1-2,5-9,11H2
InChIKeyNKTALWMFOXHKKJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
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 4-(cyclopentylmethoxy)but-2-en-1-amine?
The IUPAC name of 4-(cyclopentylmethoxy)but-2-en-1-amine (CID 77124845) is 4-(cyclopentylmethoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(cyclopentylmethoxy)but-2-en-1-amine?
The canonical SMILES for 4-(cyclopentylmethoxy)but-2-en-1-amine is NCC=CCOCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethoxy)but-2-en-1-amine?
The InChIKey is NKTALWMFOXHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h3-4,10H,1-2,5-9,11H2.
What are the key properties of 4-(cyclopentylmethoxy)but-2-en-1-amine?
4-(cyclopentylmethoxy)but-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)but-2-en-1-amine is sourced from PubChem (CID 77124845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).