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

C18H32N2O — CID 62418059

IUPACN-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CN2CCCCCCC2)cc1CNC(C)(C)C
InChIInChI=1S/C18H32N2O/c1-15-16(13-19-18(2,3)4)12-17(21-15)14-20-10-8-6-5-7-9-11-20/h12,19H,5-11,13-14H2,1-4H3
InChIKeyKXOVTOYTZKDEOI-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.24
Rot. Bonds4

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

N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62418059) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62418059
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CN2CCCCCCC2)cc1CNC(C)(C)C
InChIInChI=1S/C18H32N2O/c1-15-16(13-19-18(2,3)4)12-17(21-15)14-20-10-8-6-5-7-9-11-20/h12,19H,5-11,13-14H2,1-4H3
InChIKeyKXOVTOYTZKDEOI-UHFFFAOYSA-N
XLogP4.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694
N-[[4-(azocan-1-ylmethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417501
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417443
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62411604
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440596
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821

Frequently Asked Questions

What is the IUPAC name of N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (CID 62418059) is N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CN2CCCCCCC2)cc1CNC(C)(C)C.
What is the InChIKey of N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KXOVTOYTZKDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15-16(13-19-18(2,3)4)12-17(21-15)14-20-10-8-6-5-7-9-11-20/h12,19H,5-11,13-14H2,1-4H3.
What are the key properties of N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62418059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).