3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine

C15H25NO — CID 114136736

IUPAC3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CNCCCC2CCCC2)o1
InChIInChI=1S/C15H25NO/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3
InChIKeyMCABUVRQHPJCKR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.90
Rot. Bonds7

About 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 114136736) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID114136736
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CNCCCC2CCCC2)o1
InChIInChI=1S/C15H25NO/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3
InChIKeyMCABUVRQHPJCKR-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.90
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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Related Compounds

3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
N-[(5-methylfuran-2-yl)methyl]-4-(oxan-4-yl)butan-1-amine
CID 114191040
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
3-cyclopentyl-1-(5-ethylfuran-2-yl)-N-methylpropan-1-amine
CID 62346393
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 114136736) is 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine is CCc1ccc(CNCCCC2CCCC2)o1.
What is the InChIKey of 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is MCABUVRQHPJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114136736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).