2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine

C14H23NO — CID 115651871

IUPAC2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccoc1CNCCC1CCCCC1
InChIInChI=1S/C14H23NO/c1-12-8-10-16-14(12)11-15-9-7-13-5-3-2-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3
InChIKeyAWZYPNZFWQVXKW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.65
Rot. Bonds5

About 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine

2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 115651871) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID115651871
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccoc1CNCCC1CCCCC1
InChIInChI=1S/C14H23NO/c1-12-8-10-16-14(12)11-15-9-7-13-5-3-2-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3
InChIKeyAWZYPNZFWQVXKW-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.65
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

N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
CID 115653275
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107
1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 115654205
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267079
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-(cyclopropylmethyl)-3-methylfuran
CID 54330779

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine (CID 115651871) is 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine is Cc1ccoc1CNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is AWZYPNZFWQVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-8-10-16-14(12)11-15-9-7-13-5-3-2-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine?
2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 115651871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).