N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine

C13H21NO — CID 63278186

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2C)o1
InChIInChI=1S/C13H21NO/c1-3-11-7-8-12(15-11)9-14-13-6-4-5-10(13)2/h7-8,10,13-14H,3-6,9H2,1-2H3
InChIKeyRVHYQQLYSOYTQG-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.12
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 63278186) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID63278186
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2C)o1
InChIInChI=1S/C13H21NO/c1-3-11-7-8-12(15-11)9-14-13-6-4-5-10(13)2/h7-8,10,13-14H,3-6,9H2,1-2H3
InChIKeyRVHYQQLYSOYTQG-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine (CID 63278186) is N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine is CCc1ccc(CNC2CCCC2C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is RVHYQQLYSOYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-7-8-12(15-11)9-14-13-6-4-5-10(13)2/h7-8,10,13-14H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63278186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).