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

C18H32N2O — CID 104692301

IUPACN-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCCCC2CC)c(C)o1
InChIInChI=1S/C18H32N2O/c1-4-10-19-13-18-12-16(15(3)21-18)14-20-11-8-6-7-9-17(20)5-2/h12,17,19H,4-11,13-14H2,1-3H3
InChIKeyFFISSZPQRGSKEX-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.24
Rot. Bonds7

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

N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 104692301) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID104692301
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCCCC2CC)c(C)o1
InChIInChI=1S/C18H32N2O/c1-4-10-19-13-18-12-16(15(3)21-18)14-20-11-8-6-7-9-17(20)5-2/h12,17,19H,4-11,13-14H2,1-3H3
InChIKeyFFISSZPQRGSKEX-UHFFFAOYSA-N
XLogP4.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.24
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-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62887839
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62444819
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (CID 104692301) is N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCCCCC2CC)c(C)o1.
What is the InChIKey of N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is FFISSZPQRGSKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-10-19-13-18-12-16(15(3)21-18)14-20-11-8-6-7-9-17(20)5-2/h12,17,19H,4-11,13-14H2,1-3H3.
What are the key properties of N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 104692301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).