N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine

C16H27NO2 — CID 62444819

IUPACN-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2)c(C)o1
InChIInChI=1S/C16H27NO2/c1-3-9-17-11-16-10-14(13(2)19-16)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyBNLRUXSOSGMKGA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.94
Rot. Bonds7

About N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine

N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62444819) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62444819
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2)c(C)o1
InChIInChI=1S/C16H27NO2/c1-3-9-17-11-16-10-14(13(2)19-16)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyBNLRUXSOSGMKGA-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 114342470
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62441084
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
N-[[5-methyl-4-(3-methylbut-3-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 114470813
N-[[5-methyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456208

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine (CID 62444819) is N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(COC2CCCCC2)c(C)o1.
What is the InChIKey of N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is BNLRUXSOSGMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-9-17-11-16-10-14(13(2)19-16)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62444819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).