3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine

C15H27NO — CID 113455219

IUPAC3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1occc1C
InChIInChI=1S/C15H27NO/c1-5-7-8-13(6-2)11-14(16-4)15-12(3)9-10-17-15/h9-10,13-14,16H,5-8,11H2,1-4H3
InChIKeyHDFWFEHZLUBXHT-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.46
Rot. Bonds8

About 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine

3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine (PubChem CID 113455219) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
PubChem CID113455219
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1occc1C
InChIInChI=1S/C15H27NO/c1-5-7-8-13(6-2)11-14(16-4)15-12(3)9-10-17-15/h9-10,13-14,16H,5-8,11H2,1-4H3
InChIKeyHDFWFEHZLUBXHT-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine
CID 104805125
[3-ethyl-1-(3-methylfuran-2-yl)heptyl]hydrazine
CID 105269334
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(3-methylfuran-2-yl)tridecylhydrazine
CID 105269333
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
1-(4,5-dimethylthiophen-2-yl)-3-ethyl-N-methylheptan-1-amine
CID 115806115

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine (CID 113455219) is 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine is CCCCC(CC)CC(NC)c1occc1C.
What is the InChIKey of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine?
The InChIKey is HDFWFEHZLUBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-7-8-13(6-2)11-14(16-4)15-12(3)9-10-17-15/h9-10,13-14,16H,5-8,11H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine?
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine is sourced from PubChem (CID 113455219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).