3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine

C11H19NO — CID 114874408

IUPAC3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
SMILESCCC(C)CC(N)c1ccc(C)o1
InChIInChI=1S/C11H19NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,8,10H,4,7,12H2,1-3H3
InChIKeyBLEZXYJNAIYUOQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.02
Rot. Bonds4

About 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine

3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine (PubChem CID 114874408) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
PubChem CID114874408
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
SMILESCCC(C)CC(N)c1ccc(C)o1
InChIInChI=1S/C11H19NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,8,10H,4,7,12H2,1-3H3
InChIKeyBLEZXYJNAIYUOQ-UHFFFAOYSA-N
XLogP3.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107748951
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
2-(2-methylbutylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 107748920
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
CID 105005843
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine?
The IUPAC name of 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine (CID 114874408) is 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine?
The canonical SMILES for 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine is CCC(C)CC(N)c1ccc(C)o1.
What is the InChIKey of 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine?
The InChIKey is BLEZXYJNAIYUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,8,10H,4,7,12H2,1-3H3.
What are the key properties of 3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine?
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 3.02, 4 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-2-yl)pentan-1-amine is sourced from PubChem (CID 114874408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).