N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine

C13H23NO — CID 105029887

IUPACN-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
SMILESCCNC(Cc1ccoc1)CC(C)CC
InChIInChI=1S/C13H23NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3
InChIKeyZFYMDTHPWHVWBG-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine

N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine (PubChem CID 105029887) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
PubChem CID105029887
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
SMILESCCNC(Cc1ccoc1)CC(C)CC
InChIInChI=1S/C13H23NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3
InChIKeyZFYMDTHPWHVWBG-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
[1-(furan-3-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105331884
N-ethyl-4-methyl-1-(4-nitrophenyl)hexan-2-amine
CID 114875092
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine (CID 105029887) is N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine is CCNC(Cc1ccoc1)CC(C)CC.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine?
The InChIKey is ZFYMDTHPWHVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine?
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine has a molecular weight of 209.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine is sourced from PubChem (CID 105029887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).