1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine

C14H21NO — CID 104790484

IUPAC1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)c1ccoc1C
InChIInChI=1S/C14H21NO/c1-4-6-7-8-14(15-10-5-2)13-9-11-16-12(13)3/h1,9,11,14-15H,5-8,10H2,2-3H3
InChIKeyQYNYZMLGSSAOJH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.43
Rot. Bonds7

About 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine

1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine (PubChem CID 104790484) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
PubChem CID104790484
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)c1ccoc1C
InChIInChI=1S/C14H21NO/c1-4-6-7-8-14(15-10-5-2)13-9-11-16-12(13)3/h1,9,11,14-15H,5-8,10H2,2-3H3
InChIKeyQYNYZMLGSSAOJH-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
N-[2-methoxy-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790452
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhex-5-yn-1-amine
CID 105033689
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine (CID 104790484) is 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine is C#CCCCC(NCCC)c1ccoc1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine?
The InChIKey is QYNYZMLGSSAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-7-8-14(15-10-5-2)13-9-11-16-12(13)3/h1,9,11,14-15H,5-8,10H2,2-3H3.
What are the key properties of 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine?
1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine is sourced from PubChem (CID 104790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).