2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine

C13H23NO — CID 43684897

IUPAC2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(C)o1
InChIInChI=1S/C13H23NO/c1-5-6-10(2)9-14-12(4)13-8-7-11(3)15-13/h7-8,10,12,14H,5-6,9H2,1-4H3
InChIKeyXWCBXBGXFJDSHQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.67
Rot. Bonds6

About 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine

2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine (PubChem CID 43684897) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
PubChem CID43684897
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(C)o1
InChIInChI=1S/C13H23NO/c1-5-6-10(2)9-14-12(4)13-8-7-11(3)15-13/h7-8,10,12,14H,5-6,9H2,1-4H3
InChIKeyXWCBXBGXFJDSHQ-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
2-[1-(5-methylfuran-2-yl)ethylamino]-N-pentan-2-ylacetamide
CID 60697975
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 97107504
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75515443
3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 81093076
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine (CID 43684897) is 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine is CCCC(C)CNC(C)c1ccc(C)o1.
What is the InChIKey of 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine?
The InChIKey is XWCBXBGXFJDSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-10(2)9-14-12(4)13-8-7-11(3)15-13/h7-8,10,12,14H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine?
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 43684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).