N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine

C17H29NO2 — CID 62458623

IUPACN-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1COC1CCCCCC1
InChIInChI=1S/C17H29NO2/c1-14(2)11-18-12-17-15(9-10-19-17)13-20-16-7-5-3-4-6-8-16/h9-10,14,16,18H,3-8,11-13H2,1-2H3
InChIKeyQWBPCVPUUDSNEG-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.26
Rot. Bonds7

About N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62458623) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62458623
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1COC1CCCCCC1
InChIInChI=1S/C17H29NO2/c1-14(2)11-18-12-17-15(9-10-19-17)13-20-16-7-5-3-4-6-8-16/h9-10,14,16,18H,3-8,11-13H2,1-2H3
InChIKeyQWBPCVPUUDSNEG-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456091
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-[[3-[(1-methylpiperidin-4-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 55073433
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine (CID 62458623) is N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1occc1COC1CCCCCC1.
What is the InChIKey of N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QWBPCVPUUDSNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)11-18-12-17-15(9-10-19-17)13-20-16-7-5-3-4-6-8-16/h9-10,14,16,18H,3-8,11-13H2,1-2H3.
What are the key properties of N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62458623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).