N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

C17H31NO2 — CID 62455635

IUPACN-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCCCCOCc1occc1CNC(C)(C)C
InChIInChI=1S/C17H31NO2/c1-5-6-7-8-9-11-19-14-16-15(10-12-20-16)13-18-17(2,3)4/h10,12,18H,5-9,11,13-14H2,1-4H3
InChIKeyORYONMQZMASDQW-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.65
Rot. Bonds10

About N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62455635) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62455635
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCCCCOCc1occc1CNC(C)(C)C
InChIInChI=1S/C17H31NO2/c1-5-6-7-8-9-11-19-14-16-15(10-12-20-16)13-18-17(2,3)4/h10,12,18H,5-9,11,13-14H2,1-4H3
InChIKeyORYONMQZMASDQW-UHFFFAOYSA-N
XLogP4.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.65
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-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
2-methyl-N-[[2-(2-methylbutan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62456990
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617

Frequently Asked Questions

What is the IUPAC name of N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62455635) is N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is CCCCCCCOCc1occc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ORYONMQZMASDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-6-7-8-9-11-19-14-16-15(10-12-20-16)13-18-17(2,3)4/h10,12,18H,5-9,11,13-14H2,1-4H3.
What are the key properties of N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62455635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).