N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine

C16H29NO2 — CID 62455820

IUPACN-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCCCCCCOCc1cc(CNCC)c(C)o1
InChIInChI=1S/C16H29NO2/c1-4-6-7-8-9-10-18-13-16-11-15(12-17-5-2)14(3)19-16/h11,17H,4-10,12-13H2,1-3H3
InChIKeySCTBPSHJDHFQLG-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.18
Rot. Bonds11

About N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 62455820) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID62455820
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCCCCCCOCc1cc(CNCC)c(C)o1
InChIInChI=1S/C16H29NO2/c1-4-6-7-8-9-10-18-13-16-11-15(12-17-5-2)14(3)19-16/h11,17H,4-10,12-13H2,1-3H3
InChIKeySCTBPSHJDHFQLG-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.18
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-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[2-methyl-5-[(1-methylpiperidin-4-yl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62443209
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378

Frequently Asked Questions

What is the IUPAC name of N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine (CID 62455820) is N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine is CCCCCCCOCc1cc(CNCC)c(C)o1.
What is the InChIKey of N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is SCTBPSHJDHFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-6-7-8-9-10-18-13-16-11-15(12-17-5-2)14(3)19-16/h11,17H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 267.41 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).