3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine

C12H21NO — CID 65039941

IUPAC3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccoc1
InChIInChI=1S/C12H21NO/c1-4-12(5-2,6-3)13-9-11-7-8-14-10-11/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyXVXOVYSNDVZVDJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.34
Rot. Bonds6

About 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine

3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine (PubChem CID 65039941) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
PubChem CID65039941
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccoc1
InChIInChI=1S/C12H21NO/c1-4-12(5-2,6-3)13-9-11-7-8-14-10-11/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyXVXOVYSNDVZVDJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62998644
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
N-ethoxy-1-(furan-3-yl)methanamine
CID 82709352
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
3-ethyl-1-(furan-3-yl)-3-methoxy-N-methylpentan-2-amine
CID 116760826

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine?
The IUPAC name of 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine (CID 65039941) is 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine?
The canonical SMILES for 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine is CCC(CC)(CC)NCc1ccoc1.
What is the InChIKey of 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine?
The InChIKey is XVXOVYSNDVZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(5-2,6-3)13-9-11-7-8-14-10-11/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine?
3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine is sourced from PubChem (CID 65039941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).