3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine

C17H23NO — CID 114544332

IUPAC3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
SMILESCc1oc2ccccc2c1CNC1CCC(C)(C)C1
InChIInChI=1S/C17H23NO/c1-12-15(14-6-4-5-7-16(14)19-12)11-18-13-8-9-17(2,3)10-13/h4-7,13,18H,8-11H2,1-3H3
InChIKeyUVXFKHHVAIQAFV-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.41
Rot. Bonds3

About 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine

3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine (PubChem CID 114544332) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
PubChem CID114544332
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
SMILESCc1oc2ccccc2c1CNC1CCC(C)(C)C1
InChIInChI=1S/C17H23NO/c1-12-15(14-6-4-5-7-16(14)19-12)11-18-13-8-9-17(2,3)10-13/h4-7,13,18H,8-11H2,1-3H3
InChIKeyUVXFKHHVAIQAFV-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
CID 80679367
2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine
CID 103859108
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114544145
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 103267306
N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544334
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine (CID 114544332) is 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine is Cc1oc2ccccc2c1CNC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is UVXFKHHVAIQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-15(14-6-4-5-7-16(14)19-12)11-18-13-8-9-17(2,3)10-13/h4-7,13,18H,8-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114544332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).