4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine

C18H29NO2 — CID 139399336

IUPAC4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine
SMILESCCOC1=CCC(CCCCN)=CC=C1OC1CCCC1
InChIInChI=1S/C18H29NO2/c1-2-20-17-12-10-15(7-5-6-14-19)11-13-18(17)21-16-8-3-4-9-16/h11-13,16H,2-10,14,19H2,1H3
InChIKeyUDHPGCURCLDVIM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds8

About 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine

4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine (PubChem CID 139399336) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine
PubChem CID139399336
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine
SMILESCCOC1=CCC(CCCCN)=CC=C1OC1CCCC1
InChIInChI=1S/C18H29NO2/c1-2-20-17-12-10-15(7-5-6-14-19)11-13-18(17)21-16-8-3-4-9-16/h11-13,16H,2-10,14,19H2,1H3
InChIKeyUDHPGCURCLDVIM-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine?
The IUPAC name of 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine (CID 139399336) is 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine is CCOC1=CCC(CCCCN)=CC=C1OC1CCCC1.
What is the InChIKey of 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine?
The InChIKey is UDHPGCURCLDVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-20-17-12-10-15(7-5-6-14-19)11-13-18(17)21-16-8-3-4-9-16/h11-13,16H,2-10,14,19H2,1H3.
What are the key properties of 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine?
4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine is sourced from PubChem (CID 139399336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).