1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine

C15H27NO — CID 63505068

IUPAC1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(CC)o1)C(C)CCC
InChIInChI=1S/C15H27NO/c1-5-8-12(4)15(16-11-6-2)14-10-9-13(7-3)17-14/h9-10,12,15-16H,5-8,11H2,1-4H3
InChIKeySXVQSAASOMNEKV-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.32
Rot. Bonds8

About 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine

1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 63505068) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID63505068
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(CC)o1)C(C)CCC
InChIInChI=1S/C15H27NO/c1-5-8-12(4)15(16-11-6-2)14-10-9-13(7-3)17-14/h9-10,12,15-16H,5-8,11H2,1-4H3
InChIKeySXVQSAASOMNEKV-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422024
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 105000824
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine (CID 63505068) is 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(CC)o1)C(C)CCC.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is SXVQSAASOMNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-8-12(4)15(16-11-6-2)14-10-9-13(7-3)17-14/h9-10,12,15-16H,5-8,11H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine?
1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 63505068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).