2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine

C18H27NO — CID 64507929

IUPAC2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
SMILESCC1(C)Cc2cccc(CNCCC3CCCC3)c2O1
InChIInChI=1S/C18H27NO/c1-18(2)12-15-8-5-9-16(17(15)20-18)13-19-11-10-14-6-3-4-7-14/h5,8-9,14,19H,3-4,6-7,10-13H2,1-2H3
InChIKeyMKQPRYFVYYQUDU-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.07
Rot. Bonds5

About 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine

2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine (PubChem CID 64507929) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
PubChem CID64507929
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
SMILESCC1(C)Cc2cccc(CNCCC3CCCC3)c2O1
InChIInChI=1S/C18H27NO/c1-18(2)12-15-8-5-9-16(17(15)20-18)13-19-11-10-14-6-3-4-7-14/h5,8-9,14,19H,3-4,6-7,10-13H2,1-2H3
InChIKeyMKQPRYFVYYQUDU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.07
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 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine (CID 64507929) is 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine is CC1(C)Cc2cccc(CNCCC3CCCC3)c2O1.
What is the InChIKey of 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine?
The InChIKey is MKQPRYFVYYQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)12-15-8-5-9-16(17(15)20-18)13-19-11-10-14-6-3-4-7-14/h5,8-9,14,19H,3-4,6-7,10-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine?
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine is sourced from PubChem (CID 64507929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).