1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine

C13H23NO2 — CID 115639638

IUPAC1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1ccc(C)o1
InChIInChI=1S/C13H23NO2/c1-4-5-6-12(10-15-3)14-9-13-8-7-11(2)16-13/h7-8,12,14H,4-6,9-10H2,1-3H3
InChIKeyKEHQIMTWCGOSJS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.88
Rot. Bonds8

About 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine

1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine (PubChem CID 115639638) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
PubChem CID115639638
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1ccc(C)o1
InChIInChI=1S/C13H23NO2/c1-4-5-6-12(10-15-3)14-9-13-8-7-11(2)16-13/h7-8,12,14H,4-6,9-10H2,1-3H3
InChIKeyKEHQIMTWCGOSJS-UHFFFAOYSA-N
XLogP2.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]hex-5-yn-3-amine
CID 115654930
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
CID 115742119
5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
CID 113250138
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115709297
3-[(1-methoxyhexan-2-ylamino)methyl]benzoic acid
CID 122031553
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
methyl 3-methyl-2-[(5-methylfuran-2-yl)methylamino]pentanoate
CID 43732325

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine?
The IUPAC name of 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine (CID 115639638) is 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine?
The canonical SMILES for 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine is CCCCC(COC)NCc1ccc(C)o1.
What is the InChIKey of 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine?
The InChIKey is KEHQIMTWCGOSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-6-12(10-15-3)14-9-13-8-7-11(2)16-13/h7-8,12,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine?
1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine has a molecular weight of 225.33 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115639638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).