3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine

C12H21NO — CID 105029464

IUPAC3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccco1)NC
InChIInChI=1S/C12H21NO/c1-4-10(5-2)12(13-3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyITOSOTBFVAIIEI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.85
Rot. Bonds6

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

3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine (PubChem CID 105029464) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
PubChem CID105029464
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccco1)NC
InChIInChI=1S/C12H21NO/c1-4-10(5-2)12(13-3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyITOSOTBFVAIIEI-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 103517029
2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-cyclohexyl-1-ethoxy-3-(furan-2-yl)-N-methylpropan-2-amine
CID 116772218
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine (CID 105029464) is 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine is CCC(CC)C(Cc1ccco1)NC.
What is the InChIKey of 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine?
The InChIKey is ITOSOTBFVAIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(5-2)12(13-3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3.
What are the key properties of 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine?
3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 105029464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).