5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine

C17H27NO — CID 65305304

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H27NO/c1-4-18-11-7-5-6-8-14-9-10-16-15(12-14)13-17(2,3)19-16/h9-10,12,18H,4-8,11,13H2,1-3H3
InChIKeyDVHOCSRGYWSDSM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds7

About 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine

5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine (PubChem CID 65305304) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine
PubChem CID65305304
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H27NO/c1-4-18-11-7-5-6-8-14-9-10-16-15(12-14)13-17(2,3)19-16/h9-10,12,18H,4-8,11,13H2,1-3H3
InChIKeyDVHOCSRGYWSDSM-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
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 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine (CID 65305304) is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine is CCNCCCCCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine?
The InChIKey is DVHOCSRGYWSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-11-7-5-6-8-14-9-10-16-15(12-14)13-17(2,3)19-16/h9-10,12,18H,4-8,11,13H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine?
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 65305304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).