N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C18H31NO2 — CID 62459152

IUPACN-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(COC2CCCCCC2)oc1CNCC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)11-19-12-18-15(3)10-17(21-18)13-20-16-8-6-4-5-7-9-16/h10,14,16,19H,4-9,11-13H2,1-3H3
InChIKeyYWKAIHPIZIMHLM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds7

About N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62459152) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62459152
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(COC2CCCCCC2)oc1CNCC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)11-19-12-18-15(3)10-17(21-18)13-20-16-8-6-4-5-7-9-16/h10,14,16,19H,4-9,11-13H2,1-3H3
InChIKeyYWKAIHPIZIMHLM-UHFFFAOYSA-N
XLogP4.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 62459152) is N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is Cc1cc(COC2CCCCCC2)oc1CNCC(C)C.
What is the InChIKey of N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YWKAIHPIZIMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)11-19-12-18-15(3)10-17(21-18)13-20-16-8-6-4-5-7-9-16/h10,14,16,19H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62459152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).