N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine

C16H27NO2 — CID 62446230

IUPACN-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COC2CCC(C)CC2)c1
InChIInChI=1S/C16H27NO2/c1-3-8-17-10-14-9-16(18-11-14)12-19-15-6-4-13(2)5-7-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3
InChIKeyYBHHYNZXBCKZRK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.87
Rot. Bonds7

About N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine

N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62446230) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62446230
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COC2CCC(C)CC2)c1
InChIInChI=1S/C16H27NO2/c1-3-8-17-10-14-9-16(18-11-14)12-19-15-6-4-13(2)5-7-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3
InChIKeyYBHHYNZXBCKZRK-UHFFFAOYSA-N
XLogP3.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
1-[5-(cyclopentyloxymethyl)furan-3-yl]-N-methylmethanamine
CID 62444242
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 78990027
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62458109
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine (CID 62446230) is N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(COC2CCC(C)CC2)c1.
What is the InChIKey of N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is YBHHYNZXBCKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-8-17-10-14-9-16(18-11-14)12-19-15-6-4-13(2)5-7-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3.
What are the key properties of N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).