3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine

C14H25NO — CID 115846210

IUPAC3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1coc(C)c1
InChIInChI=1S/C14H25NO/c1-5-7-15-14(8-11(3)6-2)13-9-12(4)16-10-13/h9-11,14-15H,5-8H2,1-4H3
InChIKeyPVWZSMHZMNPMGN-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.06
Rot. Bonds7

About 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine

3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine (PubChem CID 115846210) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
PubChem CID115846210
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1coc(C)c1
InChIInChI=1S/C14H25NO/c1-5-7-15-14(8-11(3)6-2)13-9-12(4)16-10-13/h9-11,14-15H,5-8H2,1-4H3
InChIKeyPVWZSMHZMNPMGN-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine (CID 115846210) is 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1coc(C)c1.
What is the InChIKey of 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine?
The InChIKey is PVWZSMHZMNPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-7-15-14(8-11(3)6-2)13-9-12(4)16-10-13/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine?
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 115846210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).