(2-but-2-enoxycyclopentyl)methanamine

C10H19NO — CID 77125184

IUPAC(2-but-2-enoxycyclopentyl)methanamine
SMILESCC=CCOC1CCCC1CN
InChIInChI=1S/C10H19NO/c1-2-3-7-12-10-6-4-5-9(10)8-11/h2-3,9-10H,4-8,11H2,1H3
InChIKeyCUOMGXHYNGJTFJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds4

About (2-but-2-enoxycyclopentyl)methanamine

(2-but-2-enoxycyclopentyl)methanamine (PubChem CID 77125184) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2-but-2-enoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(2-but-2-enoxycyclopentyl)methanamine
PubChem CID77125184
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2-but-2-enoxycyclopentyl)methanamine
SMILESCC=CCOC1CCCC1CN
InChIInChI=1S/C10H19NO/c1-2-3-7-12-10-6-4-5-9(10)8-11/h2-3,9-10H,4-8,11H2,1H3
InChIKeyCUOMGXHYNGJTFJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-but-2-enoxycyclopentyl)methanamine?
The IUPAC name of (2-but-2-enoxycyclopentyl)methanamine (CID 77125184) is (2-but-2-enoxycyclopentyl)methanamine.
What is the SMILES notation for (2-but-2-enoxycyclopentyl)methanamine?
The canonical SMILES for (2-but-2-enoxycyclopentyl)methanamine is CC=CCOC1CCCC1CN.
What is the InChIKey of (2-but-2-enoxycyclopentyl)methanamine?
The InChIKey is CUOMGXHYNGJTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-7-12-10-6-4-5-9(10)8-11/h2-3,9-10H,4-8,11H2,1H3.
What are the key properties of (2-but-2-enoxycyclopentyl)methanamine?
(2-but-2-enoxycyclopentyl)methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-2-enoxycyclopentyl)methanamine is sourced from PubChem (CID 77125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).