N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine

C14H25NO — CID 104790089

IUPACN-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1ccoc1C
InChIInChI=1S/C14H25NO/c1-6-15-13(7-9-14(3,4)5)12-8-10-16-11(12)2/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyASVPMOIWJDDMOL-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.06
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine

N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine (PubChem CID 104790089) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
PubChem CID104790089
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1ccoc1C
InChIInChI=1S/C14H25NO/c1-6-15-13(7-9-14(3,4)5)12-8-10-16-11(12)2/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyASVPMOIWJDDMOL-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
2-ethoxy-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790093
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790174
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine (CID 104790089) is N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine is CCNC(CCC(C)(C)C)c1ccoc1C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine?
The InChIKey is ASVPMOIWJDDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-15-13(7-9-14(3,4)5)12-8-10-16-11(12)2/h8,10,13,15H,6-7,9H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine?
N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine is sourced from PubChem (CID 104790089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).